Mass: 24351.355 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: Antibody / Cell line (production host): EXPI293 / Production host: Homo sapiens (human)
#2: Antibody
Bleselumab, lightchain
Mass: 23104.572 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: Antibody / Cell line (production host): EXPI293 / Production host: Homo sapiens (human)
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.7→45.56 Å / Cor.coef. Fo:Fc: 0.938 / Cor.coef. Fo:Fc free: 0.899 / SU B: 37.372 / SU ML: 0.324 / Cross valid method: THROUGHOUT / ESU R: 2.158 / ESU R Free: 0.361 Details: Hydrogens have been added in their riding positions
Rfactor
Num. reflection
% reflection
Rfree
0.2651
1858
4.915 %
Rwork
0.204
35944
-
all
0.207
-
-
obs
-
37802
99.865 %
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: 52.149 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-1.872 Å2
0 Å2
-1.951 Å2
2-
-
2.942 Å2
0 Å2
3-
-
-
-0.952 Å2
Refinement step
Cycle: LAST / Resolution: 2.7→45.56 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
8812
0
0
25
8837
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.006
0.012
9042
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.016
8165
X-RAY DIFFRACTION
r_angle_refined_deg
1.56
1.807
12317
X-RAY DIFFRACTION
r_angle_other_deg
0.537
1.736
18992
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
8.502
5
1154
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
10.349
5
28
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
17.614
10
1442
X-RAY DIFFRACTION
r_dihedral_angle_6_deg
13.886
10
349
X-RAY DIFFRACTION
r_chiral_restr
0.069
0.2
1390
X-RAY DIFFRACTION
r_gen_planes_refined
0.006
0.02
10484
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
1952
X-RAY DIFFRACTION
r_nbd_refined
0.202
0.2
1508
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.216
0.2
7486
X-RAY DIFFRACTION
r_nbtor_refined
0.181
0.2
4344
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.09
0.2
4851
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.212
0.2
190
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.046
0.2
2
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.184
0.2
19
X-RAY DIFFRACTION
r_nbd_other
0.231
0.2
95
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.093
0.2
5
X-RAY DIFFRACTION
r_mcbond_it
2.014
3.142
4646
X-RAY DIFFRACTION
r_mcbond_other
2.013
3.142
4646
X-RAY DIFFRACTION
r_mcangle_it
3.262
5.639
5790
X-RAY DIFFRACTION
r_mcangle_other
3.262
5.639
5791
X-RAY DIFFRACTION
r_scbond_it
2.158
3.284
4396
X-RAY DIFFRACTION
r_scbond_other
2.158
3.284
4397
X-RAY DIFFRACTION
r_scangle_it
3.538
5.965
6527
X-RAY DIFFRACTION
r_scangle_other
3.538
5.965
6528
X-RAY DIFFRACTION
r_lrange_it
5.088
30.434
9323
X-RAY DIFFRACTION
r_lrange_other
5.089
30.436
9323
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.7-2.77
0.394
142
0.328
2665
X-RAY DIFFRACTION
100
2.77-2.846
0.362
130
0.305
2543
X-RAY DIFFRACTION
99.9252
2.846-2.928
0.362
148
0.284
2519
X-RAY DIFFRACTION
100
2.928-3.017
0.35
134
0.272
2370
X-RAY DIFFRACTION
99.8803
3.017-3.116
0.37
128
0.269
2401
X-RAY DIFFRACTION
100
3.116-3.225
0.335
117
0.247
2247
X-RAY DIFFRACTION
99.9577
3.225-3.346
0.291
120
0.237
2202
X-RAY DIFFRACTION
99.957
3.346-3.482
0.297
112
0.222
2133
X-RAY DIFFRACTION
99.9555
3.482-3.636
0.29
91
0.216
2042
X-RAY DIFFRACTION
100
3.636-3.812
0.251
84
0.212
2001
X-RAY DIFFRACTION
99.9521
3.812-4.016
0.249
117
0.195
1803
X-RAY DIFFRACTION
100
4.016-4.258
0.191
67
0.154
1766
X-RAY DIFFRACTION
100
4.258-4.549
0.227
98
0.137
1654
X-RAY DIFFRACTION
100
4.549-4.91
0.188
104
0.138
1527
X-RAY DIFFRACTION
100
4.91-5.372
0.204
52
0.143
1434
X-RAY DIFFRACTION
99.9327
5.372-5.996
0.23
61
0.162
1297
X-RAY DIFFRACTION
100
5.996-6.903
0.198
57
0.181
1153
X-RAY DIFFRACTION
100
6.903-8.407
0.295
47
0.187
986
X-RAY DIFFRACTION
99.9033
8.407-11.692
0.161
35
0.167
761
X-RAY DIFFRACTION
99.7494
11.692-45.56
0.22
14
0.264
440
X-RAY DIFFRACTION
93.8017
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
0.9764
-0.2822
0.494
0.5211
-0.3161
1.8666
-0.0442
-0.2562
-0.0256
0.1044
0.0934
-0.0498
-0.1878
-0.0899
-0.0492
0.033
0.0015
-0.0022
0.1591
-0.0298
0.022
-12.1287
-4.0107
6.4857
2
0.8058
-0.0783
0.4411
0.8791
-0.9339
2.5621
-0.014
-0.1048
-0.1498
0.0702
-0.0097
-0.0828
0.1574
0.1979
0.0237
0.0452
0.0466
-0.0067
0.2012
-0.0323
0.0593
0.6094
-17.3093
3.1815
3
1.4976
-1.5661
-1.9228
1.6765
2.0545
2.5798
-0.113
-0.1033
-0.1746
0.0785
-0.0273
0.2041
0.0069
-0.0114
0.1403
0.2655
0.0047
0.0383
0.3749
0.0271
0.2127
-32.4585
18.0663
-10.7092
4
0.9629
0.0266
-0.3285
0.6188
-0.3938
2.0751
-0.0089
0.2837
-0.1155
-0.1588
-0.026
-0.0257
0.1527
-0.0425
0.0349
0.0942
0.0555
-0.0736
0.262
-0.1198
0.1388
-34.8494
-5.86
-67.2428
5
1.1562
0.2185
-0.01
0.4922
-0.0693
2.4411
-0.0223
0.2773
0.1891
-0.1492
-0.0337
0.08
-0.322
0.1498
0.056
0.1082
0.0402
-0.0563
0.2388
-0.0512
0.1061
-22.1551
7.7601
-65.2113
6
2.7518
2.2668
3.0689
1.8908
2.5035
3.4596
0.0373
-0.1735
0.1345
-0.0449
-0.1617
0.1654
0.144
-0.234
0.1244
0.2949
-0.0048
-0.0887
0.4749
-0.0543
0.4035
-57.8885
-26.8963
-50.466
Refinement TLS group
Selection: ALL
+
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