1QOV

PHOTOSYNTHETIC REACTION CENTER MUTANT WITH ALA M260 REPLACED WITH TRP (CHAIN M, A260W)


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
18pH 8.00
Crystal Properties
Matthews coefficientSolvent content
5.576

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 142.05α = 90
b = 142.05β = 90
c = 186.81γ = 120
Symmetry
Space GroupP 31 2 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray298CCDADSC CCD1998-03-15MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONSRS BEAMLINE PX9.6SRSPX9.6

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (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
12.13097.60.0574.212485324.06
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.12.1578.60.2661.6

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUTWILD-TYPE RHODOBACTER SPHAEROIDES COORDINATES (UNPUBLISHED DATA)2.130124853615097.60.1690.186RANDOM40.02
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
KeyRefinement Restraint Deviation
p_transverse_tor28
p_special_tor15
p_staggered_tor14.5
p_planar_tor3.4
p_scangle_it2.983
p_mcangle_it2.432
p_scbond_it1.809
p_mcbond_it1.589
p_singtor_nbd0.171
p_multtor_nbd0.157
RMS Deviations
KeyRefinement Restraint Deviation
p_transverse_tor28
p_special_tor15
p_staggered_tor14.5
p_planar_tor3.4
p_scangle_it2.983
p_mcangle_it2.432
p_scbond_it1.809
p_mcbond_it1.589
p_singtor_nbd0.171
p_multtor_nbd0.157
p_chiral_restr0.134
p_xyhbond_nbd0.132
p_angle_d0.026
p_planar_d0.025
p_plane_restr0.0134
p_bond_d0.011
p_angle_deg
p_hb_or_metal_coord
p_xhyhbond_nbd
p_orthonormal_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms6478
Nucleic Acid Atoms
Solvent Atoms250
Heterogen Atoms568

Software

Software
Software NamePurpose
REFMACrefinement
DENZOdata reduction
SCALEPACKdata scaling
X-PLORphasing