1RUV

RIBONUCLEASE A-URIDINE VANADATE COMPLEX: HIGH RESOLUTION RESOLUTION X-RAY STRUCTURE (1.3 A)


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
2.1242.03

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 29.8α = 90
b = 38.2β = 106.1
c = 53.2γ = 90
Symmetry
Space GroupP 1 21 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-rayAREA DETECTORELECTRONICS COMPUTING TECHNOLOGIESM
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1

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 DIFFRACTION1.25102221130.197
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_orthonormal_tor18.7
p_staggered_tor13.3
p_planar_tor3.3
p_scangle_it3.106
p_scbond_it1.968
p_mcangle_it1.53
p_mcbond_it1.028
p_chiral_restr0.168
p_multtor_nbd0.162
p_xhyhbond_nbd0.145
RMS Deviations
KeyRefinement Restraint Deviation
p_orthonormal_tor18.7
p_staggered_tor13.3
p_planar_tor3.3
p_scangle_it3.106
p_scbond_it1.968
p_mcangle_it1.53
p_mcbond_it1.028
p_chiral_restr0.168
p_multtor_nbd0.162
p_xhyhbond_nbd0.145
p_singtor_nbd0.113
p_planar_d0.055
p_angle_d0.038
p_bond_d0.027
p_plane_restr0.01
p_angle_deg
p_hb_or_metal_coord
p_xyhbond_nbd
p_transverse_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms1930
Nucleic Acid Atoms
Solvent Atoms131
Heterogen Atoms48

Software

Software
Software NamePurpose
XENGENdata collection
PROFFTrefinement
XENGENdata reduction