Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9797 Å / Relative weight: 1
Reflection
Resolution: 2.5→50 Å / Num. obs: 45946 / % possible obs: 98.9 % / Redundancy: 6.3 % / Net I/σ(I): 19.3
-
Processing
Software
Name
Version
Classification
PHENIX
1.9_1692
refinement
HKL-2000
datareduction
HKL-2000
datascaling
PHENIX
phasing
Refinement
Method to determine structure: SAD / Resolution: 2.509→25.038 Å / SU ML: 0.32 / Cross valid method: THROUGHOUT / σ(F): 1.3 / Phase error: 26.64 Details: THE ENTRY CONTAINS FRIEDEL PAIRS IN F_PLUS/MINUS COLUMNS AND I_PLUS/MINUS COLUMNS
Rfactor
Num. reflection
% reflection
Rfree
0.2488
4322
5.08 %
Rwork
0.212
-
-
obs
0.2139
45946
98.18 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Refinement step
Cycle: LAST / Resolution: 2.509→25.038 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
7089
0
25
60
7174
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.002
7227
X-RAY DIFFRACTION
f_angle_d
0.505
9753
X-RAY DIFFRACTION
f_dihedral_angle_d
12.207
2719
X-RAY DIFFRACTION
f_chiral_restr
0.02
1087
X-RAY DIFFRACTION
f_plane_restr
0.002
1276
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.5094-2.5379
0.3708
124
0.2757
2162
X-RAY DIFFRACTION
80
2.5379-2.5677
0.302
127
0.2685
2481
X-RAY DIFFRACTION
91
2.5677-2.599
0.3436
158
0.2621
2553
X-RAY DIFFRACTION
94
2.599-2.6319
0.3144
140
0.2511
2610
X-RAY DIFFRACTION
95
2.6319-2.6665
0.3517
139
0.2605
2689
X-RAY DIFFRACTION
96
2.6665-2.703
0.2886
133
0.2544
2578
X-RAY DIFFRACTION
96
2.703-2.7415
0.2791
126
0.2448
2689
X-RAY DIFFRACTION
98
2.7415-2.7824
0.2863
151
0.2471
2749
X-RAY DIFFRACTION
99
2.7824-2.8258
0.3115
176
0.2505
2701
X-RAY DIFFRACTION
99
2.8258-2.8721
0.3332
124
0.2588
2716
X-RAY DIFFRACTION
99
2.8721-2.9215
0.2839
180
0.2478
2682
X-RAY DIFFRACTION
100
2.9215-2.9746
0.2793
155
0.2436
2768
X-RAY DIFFRACTION
100
2.9746-3.0317
0.3282
126
0.2527
2747
X-RAY DIFFRACTION
99
3.0317-3.0935
0.2526
151
0.2515
2711
X-RAY DIFFRACTION
100
3.0935-3.1606
0.2879
161
0.2336
2728
X-RAY DIFFRACTION
100
3.1606-3.234
0.3045
132
0.229
2766
X-RAY DIFFRACTION
100
3.234-3.3147
0.3181
154
0.2389
2708
X-RAY DIFFRACTION
100
3.3147-3.4041
0.298
129
0.2233
2800
X-RAY DIFFRACTION
100
3.4041-3.504
0.2487
156
0.2195
2709
X-RAY DIFFRACTION
100
3.504-3.6168
0.2746
125
0.2037
2745
X-RAY DIFFRACTION
100
3.6168-3.7456
0.1865
149
0.1967
2780
X-RAY DIFFRACTION
100
3.7456-3.8951
0.1899
165
0.1859
2668
X-RAY DIFFRACTION
100
3.8951-4.0716
0.1939
125
0.1745
2778
X-RAY DIFFRACTION
100
4.0716-4.2853
0.1927
144
0.1727
2757
X-RAY DIFFRACTION
100
4.2853-4.5523
0.2033
170
0.1724
2674
X-RAY DIFFRACTION
100
4.5523-4.9014
0.2149
161
0.1731
2777
X-RAY DIFFRACTION
100
4.9014-5.3902
0.1806
129
0.1919
2761
X-RAY DIFFRACTION
100
5.3902-6.16
0.2219
123
0.2147
2741
X-RAY DIFFRACTION
100
6.16-7.7229
0.2355
141
0.1985
2754
X-RAY DIFFRACTION
100
7.7229-25.0391
0.234
148
0.1896
2729
X-RAY DIFFRACTION
99
+
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