Mass: 18.015 Da / Num. of mol.: 65 / Source method: isolated from a natural source / Formula: H2O
-
Experimental details
-
Experiment
Experiment
Method: X-RAY DIFFRACTION
-
Sample preparation
Crystal
Density Matthews: 2.07 Å3/Da / Density % sol: 40.7 %
Crystal grow
pH: 8.1 / Details: pH 8.1
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Data collection
Diffraction
Mean temperature: 108 K
Diffraction source
Source: SYNCHROTRON / Site: CHESS / Beamline: A1
Detector
Detector: CCD / Date: Feb 1, 1994
Radiation
Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Relative weight: 1
Reflection
Highest resolution: 1.7 Å / Num. obs: 27991 / % possible obs: 94 % / Rsym value: 0.052
-
Processing
Software
Name
Version
Classification
X-PLOR
3.1
modelbuilding
X-PLOR
3.1
refinement
DENZO
datareduction
SCALEPACK
datascaling
X-PLOR
3.1
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.8→8 Å / Data cutoff high absF: 10000000 / Data cutoff low absF: 0.001 / Cross valid method: THROUGHOUT / σ(F): 2
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.248
972
5 %
RANDOM
Rwork
0.222
-
-
-
obs
0.222
20032
81.1 %
-
Displacement parameters
Biso mean: 24.8 Å2
Refinement step
Cycle: LAST / Resolution: 1.8→8 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
2214
0
5
65
2284
Refine LS restraints
Refine-ID
Type
Dev ideal
X-RAY DIFFRACTION
x_bond_d
0.007
X-RAY DIFFRACTION
x_bond_d_na
X-RAY DIFFRACTION
x_bond_d_prot
X-RAY DIFFRACTION
x_angle_d
X-RAY DIFFRACTION
x_angle_d_na
X-RAY DIFFRACTION
x_angle_d_prot
X-RAY DIFFRACTION
x_angle_deg
1.429
X-RAY DIFFRACTION
x_angle_deg_na
X-RAY DIFFRACTION
x_angle_deg_prot
X-RAY DIFFRACTION
x_dihedral_angle_d
24.73
X-RAY DIFFRACTION
x_dihedral_angle_d_na
X-RAY DIFFRACTION
x_dihedral_angle_d_prot
X-RAY DIFFRACTION
x_improper_angle_d
1.303
X-RAY DIFFRACTION
x_improper_angle_d_na
X-RAY DIFFRACTION
x_improper_angle_d_prot
X-RAY DIFFRACTION
x_mcbond_it
X-RAY DIFFRACTION
x_mcangle_it
X-RAY DIFFRACTION
x_scbond_it
X-RAY DIFFRACTION
x_scangle_it
+
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