Resolution: 1.9→27.046 Å / SU ML: 0.21 / σ(F): 1.3 / Phase error: 21.72 / Stereochemistry target values: ML Details: SF FILE CONTAINS FRIEDEL PAIRS UNDER I/F_MINUS AND I/F_PLUS COLUMNS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2322
2344
5.11 %
RANDOM
Rwork
0.1836
-
-
-
all
0.187
45971
-
-
obs
0.1861
45913
99.43 %
-
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement step
Cycle: LAST / Resolution: 1.9→27.046 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
2284
0
11
184
2479
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.007
2374
X-RAY DIFFRACTION
f_angle_d
0.937
3204
X-RAY DIFFRACTION
f_dihedral_angle_d
14.296
939
X-RAY DIFFRACTION
f_chiral_restr
0.06
347
X-RAY DIFFRACTION
f_plane_restr
0.005
416
LS refinement shell
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 17
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
% reflection obs (%)
1.9-1.9388
0.3572
126
0.2905
2479
97
1.9388-1.981
0.3382
126
0.2626
2494
98
1.981-2.027
0.32
172
0.2313
2583
99
2.027-2.0777
0.2678
148
0.2163
2466
99
2.0777-2.1338
0.2165
126
0.2033
2650
100
2.1338-2.1966
0.2452
100
0.1933
2570
100
2.1966-2.2675
0.2273
137
0.1893
2582
100
2.2675-2.3485
0.2053
140
0.1843
2587
100
2.3485-2.4424
0.262
153
0.1807
2556
100
2.4424-2.5535
0.2238
133
0.1765
2602
100
2.5535-2.688
0.2253
149
0.1818
2579
100
2.688-2.8563
0.2268
138
0.1915
2550
100
2.8563-3.0765
0.2552
140
0.191
2599
100
3.0765-3.3856
0.2519
171
0.1792
2530
100
3.3856-3.8743
0.2014
126
0.162
2594
99
3.8743-4.8765
0.1527
134
0.1387
2565
100
4.8765-27.049
0.2036
125
0.157
2583
100
+
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