3IXZ
Pig gastric H+/K+-ATPase complexed with aluminium fluoride
ELECTRON CRYSTALLOGRAPHY
Crystallization
| Crystalization Experiments | ||||
|---|---|---|---|---|
| ID | Method | pH | Temperature | Details |
| 1 | MICRODIALYSIS | 4.87 | 20 mM propionate, 1 mM MgCl2, 0.5 mM AlCl3, 4 mM NaF, 0.3 mM ADP, 3 mM DTT, 10% (w/v) glycerol, pH 4.87, MICRODIALYSIS | |
Crystal Data
| Unit Cell | |
|---|---|
| Length ( Å ) | Angle ( ˚ ) |
| a = 140.4 | α = 90 |
| b = 109 | β = 90 |
| c = 320 | γ = 90 |
| Symmetry | |
|---|---|
| Space Group | P 21 21 2 |
Diffraction
| Diffraction Experiment | ||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| ID # | Crystal ID | Scattering Type | Data Collection Temperature | Detector | Detector Type | Details | Collection Date | Monochromator | Protocol | |||||
| 1 | 1 | electron | 4.2 | 2008-04-15 | M | SINGLE WAVELENGTH | ||||||||
Data Collection
Refinement
| Non-Hydrogen Atoms Used in Refinement | |
|---|---|
| Non-Hydrogen Atoms | Number |
| Protein Atoms | 1044 |
| Nucleic Acid Atoms | |
| Solvent Atoms | |
| Heterogen Atoms | |
Software
| Software | |
|---|---|
| Software Name | Purpose |
| MRC | model building |
| MRC | phasing |
| Sample |
|---|
| HK-ATPase |
| Sample Components |
| HK-ATPase alpha subunit |
| HK-ATPase beta subunit |
| Specimen Preparation | |
|---|---|
| Sample Aggregation State | 2D ARRAY |
| Vitrification Instrument | REICHERT-JUNG PLUNGER |
| Cryogen Name | NITROGEN |
| Sample Vitrification Details | |
| 3D Reconstruction | |
|---|---|
| Reconstruction Method | CRYSTALLOGRAPHY |
| Number of Particles | |
| Reported Resolution (Å) | 6.5 |
| Resolution Method | |
| Other Details | |
| Refinement Type | |
| Symmetry Type | 2D CRYSTAL |
| Map-Model Fitting and Refinement | |||||
|---|---|---|---|---|---|
| Id | 1 (3B8E) | 2 (3B8E) | |||
| Refinement Space | REAL | REAL | |||
| Refinement Protocol | RIGID BODY FIT | RIGID BODY FIT | |||
| Refinement Target | Cross-correlation coefficient | Cross-correlation coefficient | |||
| Overall B Value | |||||
| Fitting Procedure | |||||
| Details | METHOD--Local refinement REFINEMENT PROTOCOL--rigid body | METHOD--Local refinement REFINEMENT PROTOCOL--rigid body | |||
| Data Acquisition | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Detector Type | KODAK SO-163 FILM | ||||||||
| Electron Dose (electrons/Å**2) | 25 | ||||||||
| Imaging Experiment | 1 |
|---|---|
| Date of Experiment | |
| Temperature (Kelvin) | 4.2 |
| Microscope Model | JEOL KYOTO-3000SFF |
| Minimum Defocus (nm) | 3480 |
| Maximum Defocus (nm) | 390 |
| Minimum Tilt Angle (degrees) | |
| Maximum Tilt Angle (degrees) | 73.3 |
| Nominal CS | 1.6 |
| Imaging Mode | BRIGHT FIELD |
| Specimen Holder Model | |
| Nominal Magnification | 6000 |
| Calibrated Magnification | 59100 |
| Source | FIELD EMISSION GUN |
| Acceleration Voltage (kV) | 300 |
| Imaging Details |
| EM Software | ||
|---|---|---|
| Task | Software Package | Version |
| MODEL FITTING | Situs | |
| RECONSTRUCTION | MRC | |
| Image Processing | ||||
|---|---|---|---|---|
| CTF Correction Type | CTF Correction Details | Number of Particles Selected | Particle Selection Details | |
| Each images were CTF corrected. | ||||
