2BRD
CRYSTAL STRUCTURE OF BACTERIORHODOPSIN IN PURPLE MEMBRANE
ELECTRON CRYSTALLOGRAPHY
Crystallization
| Crystal Properties | |
|---|---|
| Matthews coefficient | Solvent content |
| 4.24 | 70.97 |
Crystal Data
| Unit Cell | |
|---|---|
| Length ( Å ) | Angle ( ˚ ) |
| a = 62.45 | α = 90 |
| b = 62.45 | β = 90 |
| c = 100.9 | γ = 120 |
| Symmetry | |
|---|---|
| Space Group | P 3 |
Diffraction
| Diffraction Experiment | ||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| ID # | Crystal ID | Scattering Type | Data Collection Temperature | Detector | Detector Type | Details | Collection Date | Monochromator | Protocol | |||||
| 1 | 1 | FILM | 1986-01-01 | M | ||||||||||
| Radiation Source | |||||
|---|---|---|---|---|---|
| ID # | Source | Type | Wavelength List | Synchrotron Site | Beamline |
| 1 | |||||
Data Collection
| Overall | |||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| ID # | Resolution (High) | Resolution (Low) | Percent Possible (Observed) | R Merge I (Observed) | Net I Over Average Sigma (I) | Redundancy | Number Reflections (All) | Number Reflections (Observed) | Observed Criterion Sigma (F) | Observed Criterion Sigma (I) | B (Isotropic) From Wilson Plot | ||||||||
| 1 | 2.8 | 54 | 62.3 | 0.15 | 18 | 6750 | |||||||||||||
Refinement
| Statistics | |||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Diffraction ID | Structure Solution Method | Resolution (High) | Resolution (Low) | Number Reflections (Observed) | Number Reflections (R-Free) | Percent Reflections (Observed) | R-Work | R-Free | Mean Isotropic B | ||||||||||
| ELECTRON CRYSTALLOGRAPHY | 3.5 | 30 | 4743 | 85.4 | 0.28 | 114 | |||||||||||||
| Temperature Factor Modeling | ||||||
|---|---|---|---|---|---|---|
| Anisotropic B[1][1] | Anisotropic B[1][2] | Anisotropic B[1][3] | Anisotropic B[2][2] | Anisotropic B[2][3] | Anisotropic B[3][3] | |
| RMS Deviations | |
|---|---|
| Key | Refinement Restraint Deviation |
| p_transverse_tor | 36.1 |
| p_staggered_tor | 20.4 |
| p_planar_tor | 0.865 |
| p_multtor_nbd | 0.242 |
| p_singtor_nbd | 0.185 |
| p_xyhbond_nbd | 0.127 |
| p_chiral_restr | 0.086 |
| p_planar_d | 0.022 |
| p_angle_d | 0.02 |
| p_bond_d | 0.005 |
| Non-Hydrogen Atoms Used in Refinement | |
|---|---|
| Non-Hydrogen Atoms | Number |
| Protein Atoms | 1718 |
| Nucleic Acid Atoms | |
| Solvent Atoms | |
| Heterogen Atoms | 610 |
Software
| Software | |
|---|---|
| Software Name | Purpose |
| PROLSQ | refinement |
| PICKYCOR | data reduction |
| AN | data reduction |
| Sample |
|---|
| BACTERIORHODOPSIN CRYSTAL |
| Specimen Preparation | |
|---|---|
| Sample Aggregation State | 2D ARRAY |
| 3D Reconstruction | |
|---|---|
| Reconstruction Method | CRYSTALLOGRAPHY |
| Number of Particles | |
| Reported Resolution (Å) | |
| Resolution Method | |
| Other Details | |
| Refinement Type | |
| Symmetry Type | 2D CRYSTAL |
| Data Acquisition | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Detector Type | GENERIC FILM | GENERIC FILM | GENERIC FILM | ||||||
| Electron Dose (electrons/Å**2) | 20 | 15 | |||||||
| Imaging Experiment | 1 | 2 | 3 |
|---|---|---|---|
| Date of Experiment | |||
| Temperature (Kelvin) | |||
| Microscope Model | FEI/PHILIPS EM420 | SIEMENS SULEIKA | JEOL 100B |
| Minimum Defocus (nm) | |||
| Maximum Defocus (nm) | |||
| Minimum Tilt Angle (degrees) | |||
| Maximum Tilt Angle (degrees) | |||
| Nominal CS | |||
| Imaging Mode | DIFFRACTION | BRIGHT FIELD | BRIGHT FIELD |
| Specimen Holder Model | |||
| Nominal Magnification | 66000 | 55000 | |
| Calibrated Magnification | |||
| Source | FIELD EMISSION GUN | ||
| Acceleration Voltage (kV) | 120 | 100 | 100 |
| Imaging Details | 60 degree tilted specimens | 0, 20, 45 degree + random degree tilts | , 20, 45 degree + random degree tilts |
