1DPE

DIPEPTIDE-BINDING PROTEIN


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
2.5852.36

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 118.27α = 90
b = 79.78β = 90
c = 62.97γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-rayIMAGE PLATEFUJIM
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONNSLS BEAMLINE X4ANSLSX4A

Data Collection

Refinement

Statistics
Diffraction IDStructure Solution MethodResolution (High)Resolution (Low)Cut-off Sigma (F)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-WorkR-FreeMean Isotropic B
X-RAY DIFFRACTION26136597930.16916.2
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_tor29.92
p_staggered_tor16.47
p_planar_tor4.156
p_scangle_it2.815
p_scbond_it1.885
p_mcangle_it1.809
p_mcbond_it1.2
p_multtor_nbd0.265
p_xyhbond_nbd0.226
p_singtor_nbd0.188
RMS Deviations
KeyRefinement Restraint Deviation
p_transverse_tor29.92
p_staggered_tor16.47
p_planar_tor4.156
p_scangle_it2.815
p_scbond_it1.885
p_mcangle_it1.809
p_mcbond_it1.2
p_multtor_nbd0.265
p_xyhbond_nbd0.226
p_singtor_nbd0.188
p_planar_d0.044
p_angle_d0.038
p_chiral_restr0.035
p_plane_restr0.022
p_bond_d0.014
p_angle_deg
p_hb_or_metal_coord
p_xhyhbond_nbd
p_orthonormal_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms4047
Nucleic Acid Atoms
Solvent Atoms488
Heterogen Atoms5

Software

Software
Software NamePurpose
DENZOdata reduction
X-PLORmodel building
PROLSQrefinement
X-PLORrefinement
X-PLORphasing