1RSN

RIBONUCLEASE (RNASE SA) (E.C.3.1.4.8) COMPLEXED WITH EXO-2',3'-CYCLOPHOSPHOROTHIOATE


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
2.3547.72

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 64.7α = 90
b = 78.8β = 90
c = 39.1γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-rayIMAGE PLATEMARRESEARCH1992-11-22M
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONEMBL/DESY, HAMBURG BEAMLINE X11EMBL/DESY, HamburgX11

Data Collection

Refinement

Statistics
Diffraction IDStructure Solution MethodResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeMean Isotropic B
X-RAY DIFFRACTION210138890.119
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_tor13.8
p_staggered_tor13.7
p_scangle_it7.3
p_scbond_it5.9
p_mcangle_it3.8
p_planar_tor3.1
p_mcbond_it2.9
p_multtor_nbd0.262
p_xhyhbond_nbd0.215
p_singtor_nbd0.178
RMS Deviations
KeyRefinement Restraint Deviation
p_orthonormal_tor13.8
p_staggered_tor13.7
p_scangle_it7.3
p_scbond_it5.9
p_mcangle_it3.8
p_planar_tor3.1
p_mcbond_it2.9
p_multtor_nbd0.262
p_xhyhbond_nbd0.215
p_singtor_nbd0.178
p_chiral_restr0.172
p_planar_d0.078
p_angle_d0.047
p_bond_d0.021
p_plane_restr0.018
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 Atoms1493
Nucleic Acid Atoms
Solvent Atoms451
Heterogen Atoms51

Software

Software
Software NamePurpose
DENZOdata reduction
SCALEPACKdata scaling
PROLSQrefinement