1MML

MECHANISTIC IMPLICATIONS FROM THE STRUCTURE OF A CATALYTIC FRAGMENT OF MMLV REVERSE TRANSCRIPTASE


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
2.5251.2

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 84.1α = 90
b = 84.1β = 90
c = 74γ = 120
Symmetry
Space GroupP 32 2 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-rayIMAGE PLATEFUJI1993-08-28M
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONNSLS BEAMLINE X4A0.98NSLSX4A

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 DIFFRACTION1.810270080.1980.25722.7
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_tor30
p_staggered_tor19
p_scangle_it4.9
p_planar_tor4.5
p_scbond_it3.1
p_mcangle_it2.2
p_mcbond_it1.2
p_chiral_restr0.1
p_multtor_nbd0.1
p_xhyhbond_nbd0.1
RMS Deviations
KeyRefinement Restraint Deviation
p_orthonormal_tor30
p_staggered_tor19
p_scangle_it4.9
p_planar_tor4.5
p_scbond_it3.1
p_mcangle_it2.2
p_mcbond_it1.2
p_chiral_restr0.1
p_multtor_nbd0.1
p_xhyhbond_nbd0.1
p_bond_d
p_angle_d
p_angle_deg
p_planar_d
p_hb_or_metal_coord
p_plane_restr
p_singtor_nbd
p_xyhbond_nbd
p_transverse_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms2007
Nucleic Acid Atoms
Solvent Atoms125
Heterogen Atoms

Software

Software
Software NamePurpose
PROLSQrefinement
DENZOdata reduction