Component-ID: 1 / Ens-ID: 1 / Beg auth comp-ID: HIS / Beg label comp-ID: HIS / End auth comp-ID: PRO / End label comp-ID: PRO / Auth seq-ID: 3 - 86 / Label seq-ID: 6 - 89
Dom-ID
Auth asym-ID
Label asym-ID
1
A
A
2
B
B
NCS ensembles : (Details: Local NCS retraints between domains: 1 2)
-
Components
#1: Protein
Zincfingerprotein276
Mass: 10156.539 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Oryctolagus cuniculus (rabbit) / Gene: ZNF276 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A5F9DAT3
Method to determine structure: SAD / Resolution: 2.9→49.1 Å / Cor.coef. Fo:Fc: 0.886 / Cor.coef. Fo:Fc free: 0.877 / SU B: 39.303 / SU ML: 0.36 / Cross valid method: THROUGHOUT / ESU R: 0.62 / ESU R Free: 0.419 Details: Hydrogens have been added in their riding positions
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.3399
609
9.429 %
RANDOM
Rwork
0.2896
5850
-
-
all
0.295
-
-
-
obs
-
6459
98.777 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK BULK SOLVENT
Displacement parameters
Biso mean: 99.154 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.526 Å2
0.263 Å2
0 Å2
2-
-
0.526 Å2
-0 Å2
3-
-
-
-1.706 Å2
Refinement step
Cycle: LAST / Resolution: 2.9→49.1 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
977
0
2
0
979
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.018
0.013
1007
X-RAY DIFFRACTION
r_bond_other_d
0.004
0.014
858
X-RAY DIFFRACTION
r_angle_refined_deg
2.922
1.642
1363
X-RAY DIFFRACTION
r_angle_other_deg
1.467
1.583
1937
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
10.503
5
130
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
29.911
20.189
53
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
23.432
15
127
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
17.116
15
8
X-RAY DIFFRACTION
r_chiral_restr
0.123
0.2
129
X-RAY DIFFRACTION
r_gen_planes_refined
0.014
0.02
1178
X-RAY DIFFRACTION
r_gen_planes_other
0.005
0.02
258
X-RAY DIFFRACTION
r_nbd_refined
0.161
0.2
183
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.12
0.2
752
X-RAY DIFFRACTION
r_nbtor_refined
0.137
0.2
418
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.074
0.2
493
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.209
0.2
15
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.038
0.2
2
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.074
0.2
3
X-RAY DIFFRACTION
r_nbd_other
0.165
0.2
23
X-RAY DIFFRACTION
r_mcbond_it
7.761
8.024
532
X-RAY DIFFRACTION
r_mcbond_other
7.766
8.019
531
X-RAY DIFFRACTION
r_mcangle_it
11.596
12.021
658
X-RAY DIFFRACTION
r_mcangle_other
11.588
12.026
659
X-RAY DIFFRACTION
r_scbond_it
9.42
8.021
475
X-RAY DIFFRACTION
r_scbond_other
9.413
8.023
476
X-RAY DIFFRACTION
r_scangle_it
11.897
11.945
705
X-RAY DIFFRACTION
r_scangle_other
11.89
11.945
705
X-RAY DIFFRACTION
r_lrange_it
13.492
92.902
961
X-RAY DIFFRACTION
r_lrange_other
13.481
92.875
961
X-RAY DIFFRACTION
r_ncsr_local_group_1
0.202
0.05
1319
Refine LS restraints NCS
Ens-ID
Dom-ID
Auth asym-ID
Refine-ID
Type
Rms dev position (Å)
Weight position
1
1
A
X-RAY DIFFRACTION
Localncs
0.2016
0.05004
1
2
B
X-RAY DIFFRACTION
Localncs
0.2016
0.05004
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.9-2.975
0.515
54
0.397
414
X-RAY DIFFRACTION
99.7868
2.975-3.057
0.431
46
0.351
405
X-RAY DIFFRACTION
99.7788
3.057-3.145
0.433
34
0.3
407
X-RAY DIFFRACTION
100
3.145-3.242
0.429
43
0.306
390
X-RAY DIFFRACTION
100
3.242-3.348
0.379
41
0.279
375
X-RAY DIFFRACTION
99.7602
3.348-3.465
0.387
34
0.281
366
X-RAY DIFFRACTION
99.5025
3.465-3.596
0.339
34
0.265
362
X-RAY DIFFRACTION
99.7481
3.596-3.742
0.357
27
0.265
342
X-RAY DIFFRACTION
99.4609
3.742-3.908
0.351
29
0.232
334
X-RAY DIFFRACTION
99.4521
3.908-4.098
0.199
40
0.207
317
X-RAY DIFFRACTION
98.892
4.098-4.319
0.239
24
0.197
300
X-RAY DIFFRACTION
98.4802
4.319-4.58
0.305
31
0.243
285
X-RAY DIFFRACTION
98.1366
4.58-4.895
0.471
23
0.248
279
X-RAY DIFFRACTION
99.0164
4.895-5.285
0.361
31
0.274
249
X-RAY DIFFRACTION
97.9021
5.285-5.786
0.292
23
0.306
238
X-RAY DIFFRACTION
98.4906
5.786-6.464
0.425
22
0.368
215
X-RAY DIFFRACTION
97.9339
6.464-7.454
0.332
22
0.38
194
X-RAY DIFFRACTION
97.2973
7.454-9.104
0.346
29
0.301
153
X-RAY DIFFRACTION
94.7917
9.104-12.773
0.226
14
0.233
135
X-RAY DIFFRACTION
95.5128
12.773-49.1
0.611
8
0.468
90
X-RAY DIFFRACTION
87.5
Refinement TLS params.
Method: refined / Refine-ID: X-RAY DIFFRACTION
ID
L11 (°2)
L12 (°2)
L13 (°2)
L22 (°2)
L23 (°2)
L33 (°2)
S11 (Å °)
S12 (Å °)
S13 (Å °)
S21 (Å °)
S22 (Å °)
S23 (Å °)
S31 (Å °)
S32 (Å °)
S33 (Å °)
T11 (Å2)
T12 (Å2)
T13 (Å2)
T22 (Å2)
T23 (Å2)
T33 (Å2)
Origin x (Å)
Origin y (Å)
Origin z (Å)
1
4.8428
-2.9772
0.4948
2.3387
-1.2092
3.1404
-0.1722
-0.4599
-0.7261
0.1006
0.1307
0.6062
0.0017
0.4157
0.0415
0.0845
-0.0642
0.0053
0.2676
0.1119
0.2772
13.5988
42.8139
7.448
2
4.6553
-0.9888
-2.133
1.601
-1.2215
3.0966
-0.0566
0.2999
-1.5943
-0.5687
-0.3136
0.6875
0.7711
0.0282
0.3701
0.2646
0.0437
-0.0935
0.2762
-0.1905
0.7413
6.6206
34.7796
-4.0069
Refinement TLS group
ID
Refine-ID
Refine TLS-ID
Selection
Auth asym-ID
Auth seq-ID
1
X-RAY DIFFRACTION
1
ALL
A
3 - 87
2
X-RAY DIFFRACTION
2
ALL
B
3 - 87
+
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