2PSD

Crystal Structures of the Luciferase and Green Fluorescent Protein from Renilla Reniformis


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP82930.3M NaCl, 1.25M diammonium phosphate, 0.1M imidazole, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Crystal Properties
Matthews coefficientSolvent content
2.6753.95

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 119.468α = 90
b = 119.468β = 90
c = 47.995γ = 120
Symmetry
Space GroupP 61

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100 MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONSSRL BEAMLINE BL11-1SSRLBL11-1

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)Net I Over Average Sigma (I)RedundancyNumber Reflections (All)Number Reflections (Observed)Observed Criterion Sigma (F)Observed Criterion Sigma (I)B (Isotropic) From Wilson Plot
11.45073121

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT1.45073121386899.820.166310.165390.18341RANDOM21.001
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]
0.510.250.51-0.76
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg30.99
r_dihedral_angle_4_deg18.615
r_dihedral_angle_3_deg12.574
r_dihedral_angle_1_deg5.799
r_scangle_it2.468
r_scbond_it1.746
r_angle_refined_deg1.372
r_mcangle_it0.891
r_angle_other_deg0.843
r_mcbond_it0.802
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg30.99
r_dihedral_angle_4_deg18.615
r_dihedral_angle_3_deg12.574
r_dihedral_angle_1_deg5.799
r_scangle_it2.468
r_scbond_it1.746
r_angle_refined_deg1.372
r_mcangle_it0.891
r_angle_other_deg0.843
r_mcbond_it0.802
r_symmetry_vdw_other0.283
r_nbd_refined0.215
r_nbd_other0.189
r_nbtor_refined0.189
r_symmetry_hbond_refined0.178
r_mcbond_other0.167
r_xyhbond_nbd_refined0.118
r_chiral_restr0.093
r_nbtor_other0.082
r_symmetry_vdw_refined0.058
r_bond_refined_d0.009
r_gen_planes_refined0.005
r_bond_other_d0.001
r_gen_planes_other0.001
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms2502
Nucleic Acid Atoms
Solvent Atoms384
Heterogen Atoms10

Software

Software
Software NamePurpose
REFMACrefinement