Resolution: 2.5→2.56 Å / Redundancy: 6.9 % / % possible all: 99.9
-
Processing
Software
Name
Version
Classification
PHENIX
modelbuilding
PHENIX
(phenix.refine: 1.7.2_869)
refinement
XDS
datareduction
XDS
datascaling
PHENIX
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: monoclinic structure , deposited together with this structure Resolution: 2.5→19.997 Å / SU ML: 0.39 / σ(F): 1.99 / Phase error: 28.33 / Stereochemistry target values: ML
Rfactor
Num. reflection
% reflection
Rfree
0.2676
2777
6 %
Rwork
0.2164
-
-
obs
0.2194
46319
99.93 %
all
-
46468
-
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.2 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parameters
Baniso -1
Baniso -2
Baniso -3
1-
-3.3592 Å2
-0 Å2
0 Å2
2-
-
-6.2809 Å2
0 Å2
3-
-
-
9.6401 Å2
Refinement step
Cycle: LAST / Resolution: 2.5→19.997 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
9072
0
112
25
9209
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.009
9367
X-RAY DIFFRACTION
f_angle_d
1.194
12659
X-RAY DIFFRACTION
f_dihedral_angle_d
15.5
3426
X-RAY DIFFRACTION
f_chiral_restr
0.082
1426
X-RAY DIFFRACTION
f_plane_restr
0.005
1582
Refine LS restraints NCS
Ens-ID
Dom-ID
Auth asym-ID
Number
Refine-ID
Type
Rms dev position (Å)
1
1
A
3639
X-RAY DIFFRACTION
POSITIONAL
1
2
B
3639
X-RAY DIFFRACTION
POSITIONAL
0.048
2
1
E
813
X-RAY DIFFRACTION
POSITIONAL
2
2
F
813
X-RAY DIFFRACTION
POSITIONAL
0.021
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.5-2.5431
0.351
136
0.3109
2136
X-RAY DIFFRACTION
100
2.5431-2.5892
0.4026
137
0.3319
2148
X-RAY DIFFRACTION
100
2.5892-2.6389
0.3672
137
0.3242
2151
X-RAY DIFFRACTION
100
2.6389-2.6927
0.3568
137
0.3099
2143
X-RAY DIFFRACTION
100
2.6927-2.7511
0.3529
136
0.287
2137
X-RAY DIFFRACTION
100
2.7511-2.8149
0.3249
138
0.2841
2163
X-RAY DIFFRACTION
100
2.8149-2.8851
0.3091
139
0.2684
2168
X-RAY DIFFRACTION
100
2.8851-2.9628
0.3684
138
0.2744
2167
X-RAY DIFFRACTION
100
2.9628-3.0497
0.3364
137
0.2621
2155
X-RAY DIFFRACTION
100
3.0497-3.1478
0.3047
138
0.253
2153
X-RAY DIFFRACTION
100
3.1478-3.2599
0.3486
138
0.2498
2165
X-RAY DIFFRACTION
100
3.2599-3.3898
0.301
138
0.2304
2162
X-RAY DIFFRACTION
100
3.3898-3.5432
0.2979
138
0.2231
2164
X-RAY DIFFRACTION
100
3.5432-3.7289
0.2543
140
0.2164
2188
X-RAY DIFFRACTION
100
3.7289-3.9609
0.2652
139
0.2024
2178
X-RAY DIFFRACTION
100
3.9609-4.2639
0.2189
140
0.1792
2190
X-RAY DIFFRACTION
100
4.2639-4.688
0.1764
140
0.1634
2193
X-RAY DIFFRACTION
100
4.688-5.355
0.2406
141
0.1713
2230
X-RAY DIFFRACTION
100
5.355-6.7042
0.2235
143
0.1969
2239
X-RAY DIFFRACTION
100
6.7042-19.9977
0.2067
147
0.1606
2312
X-RAY DIFFRACTION
99
+
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