Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.514 Å / Relative weight: 1
Reflection
Resolution: 1.55→50 Å / Num. obs: 15162 / % possible obs: 96.9 % / Redundancy: 9.5 % / Rsym value: 0.058 / Net I/σ(I): 18.9
Reflection shell
Resolution: 1.55→1.58 Å / Rsym value: 0.225
-
Processing
Software
Name
Version
Classification
PHENIX
1.8.2_1309
refinement
HKL-3000
datareduction
HKL-3000
datascaling
HKL-3000
phasing
Refinement
Method to determine structure: SAD / Resolution: 1.55→26.759 Å / SU ML: 0.1 / Cross valid method: THROUGHOUT / σ(F): 1.38 / Phase error: 20.49 / Stereochemistry target values: ML
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.1903
714
4.72 %
Random selection
Rwork
0.1636
-
-
-
obs
0.1649
15142
96.94 %
-
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement step
Cycle: LAST / Resolution: 1.55→26.759 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
789
0
4
200
993
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.012
859
X-RAY DIFFRACTION
f_angle_d
1.219
1169
X-RAY DIFFRACTION
f_dihedral_angle_d
12.069
304
X-RAY DIFFRACTION
f_chiral_restr
0.079
108
X-RAY DIFFRACTION
f_plane_restr
0.008
161
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.55-1.6701
0.2481
131
0.1813
2657
X-RAY DIFFRACTION
90
1.6701-1.8381
0.2186
124
0.1827
2840
X-RAY DIFFRACTION
95
1.8381-2.104
0.1863
142
0.1571
2964
X-RAY DIFFRACTION
100
2.104-2.6505
0.1788
155
0.1641
2953
X-RAY DIFFRACTION
100
2.6505-26.7635
0.1831
162
0.1581
3014
X-RAY DIFFRACTION
100
+
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