X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP6.4291ammonium sulfate, glycerol, Na/K phosphate, DTT, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 18K
Crystal Properties
Matthews coefficientSolvent content
2.1342.15

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 63.936α = 90
b = 98.659β = 90
c = 118.699γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC QUANTUM 42000-05-28MSINGLE WAVELENGTH
21100CCDADSC QUANTUM 42000-05-28
31100CCDADSC QUANTUM 42000-05-28
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONNSLS BEAMLINE X8CNSLSX8C
2SYNCHROTRONNSLS BEAMLINE X8CNSLSX8C
3SYNCHROTRONNSLS BEAMLINE X8CNSLSX8C

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
1210099.70.05416.939766197661-3-3

Refinement

Statistics
Diffraction IDStructure Solution MethodResolution (High)Resolution (Low)Cut-off Sigma (I)Cut-off Sigma (F)Number Reflections (All)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTION212-3-3507085070850941000.1510.212arbitrary, 10%
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]
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms6089
Nucleic Acid Atoms
Solvent Atoms1103
Heterogen Atoms46

Software

Software
Software NamePurpose
SOLVEphasing
DMmodel building
ARP/wARPmodel building
DENZOdata reduction
SCALEPACKdata scaling
DMphasing