Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9793 Å / Relative weight: 1
Reflection
Resolution: 1.8→48.35 Å / Num. obs: 82629 / % possible obs: 97.3 % / Redundancy: 1.9 % / Net I/σ(I): 15.03
Reflection shell
Resolution: 1.8→1.86 Å
-
Processing
Software
Name
Version
Classification
PHENIX
(1.12_2829)
refinement
HKL-2000
datareduction
HKL-2000
datacollection
PHENIX
phasing
HKL-2000
datascaling
Refinement
Method to determine structure: SAD / Resolution: 1.802→48.347 Å / SU ML: 0.18 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 19.6 / Stereochemistry target values: ML
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.1937
4123
4.99 %
RANDOM
Rwork
0.1549
-
-
-
obs
0.1568
82629
97.25 %
-
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement step
Cycle: LAST / Resolution: 1.802→48.347 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
7461
0
18
1027
8506
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.006
7691
X-RAY DIFFRACTION
f_angle_d
0.828
10475
X-RAY DIFFRACTION
f_dihedral_angle_d
3.64
5347
X-RAY DIFFRACTION
f_chiral_restr
0.057
1117
X-RAY DIFFRACTION
f_plane_restr
0.006
1397
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.8016-1.8228
0.3048
120
0.2407
2584
X-RAY DIFFRACTION
92
1.8228-1.845
0.3162
141
0.2262
2596
X-RAY DIFFRACTION
96
1.845-1.8684
0.2625
124
0.2183
2728
X-RAY DIFFRACTION
96
1.8684-1.893
0.2421
127
0.2145
2693
X-RAY DIFFRACTION
97
1.893-1.9189
0.2298
147
0.2076
2683
X-RAY DIFFRACTION
97
1.9189-1.9463
0.2491
142
0.1985
2693
X-RAY DIFFRACTION
97
1.9463-1.9754
0.2385
142
0.1875
2647
X-RAY DIFFRACTION
97
1.9754-2.0062
0.242
125
0.1765
2692
X-RAY DIFFRACTION
97
2.0062-2.0391
0.1884
153
0.1652
2740
X-RAY DIFFRACTION
97
2.0391-2.0743
0.2146
151
0.1636
2648
X-RAY DIFFRACTION
97
2.0743-2.112
0.2302
144
0.1616
2699
X-RAY DIFFRACTION
97
2.112-2.1526
0.2096
143
0.1596
2711
X-RAY DIFFRACTION
97
2.1526-2.1966
0.1993
147
0.1528
2694
X-RAY DIFFRACTION
97
2.1966-2.2443
0.2065
164
0.1505
2709
X-RAY DIFFRACTION
97
2.2443-2.2965
0.2205
147
0.1585
2674
X-RAY DIFFRACTION
98
2.2965-2.354
0.1978
145
0.1557
2716
X-RAY DIFFRACTION
98
2.354-2.4176
0.177
133
0.1544
2717
X-RAY DIFFRACTION
98
2.4176-2.4888
0.2283
137
0.1524
2729
X-RAY DIFFRACTION
98
2.4888-2.5691
0.1995
146
0.1513
2745
X-RAY DIFFRACTION
98
2.5691-2.6609
0.1917
136
0.1542
2717
X-RAY DIFFRACTION
98
2.6609-2.7674
0.2128
148
0.1529
2727
X-RAY DIFFRACTION
98
2.7674-2.8934
0.1963
139
0.1596
2764
X-RAY DIFFRACTION
98
2.8934-3.0459
0.1994
132
0.1577
2768
X-RAY DIFFRACTION
99
3.0459-3.2367
0.1786
146
0.152
2733
X-RAY DIFFRACTION
98
3.2367-3.4865
0.1627
134
0.1377
2761
X-RAY DIFFRACTION
98
3.4865-3.8373
0.1795
160
0.1303
2715
X-RAY DIFFRACTION
98
3.8373-4.3922
0.1363
156
0.1185
2723
X-RAY DIFFRACTION
98
4.3922-5.5324
0.1423
145
0.1281
2728
X-RAY DIFFRACTION
97
5.5324-48.3641
0.1909
149
0.1645
2772
X-RAY DIFFRACTION
97
+
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