BIOMOLECULE: 1 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 1 ... BIOMOLECULE: 1 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 1 CHAIN(S). AUTHORS STATE THAT STATIC LIGHT SCATTERING SHOWS THAT THE PROTEIN IS A MONOMER IN SOLUTION. SEE REMARK 350 FOR INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S).
Method to determine structure: MAD / Resolution: 2.15→20 Å / FOM work R set: 0.842 / σ(F): 2 / Stereochemistry target values: Engh & Huber / Details: THE FRIEDEL PAIRS WERE USED FOR PHASING
Rfactor
Num. reflection
% reflection
Rfree
0.234
2569
8.9 %
Rwork
0.2
-
-
obs
0.2
26990
93.8 %
Solvent computation
Bsol: 51.071 Å2
Displacement parameters
Biso mean: 38.91 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-1.548 Å2
0 Å2
0 Å2
2-
-
2.225 Å2
0 Å2
3-
-
-
-0.677 Å2
Refinement step
Cycle: LAST / Resolution: 2.15→20 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
2184
0
0
146
2330
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
X-RAY DIFFRACTION
c_bond_d
0.004329
X-RAY DIFFRACTION
c_bond_d_na
X-RAY DIFFRACTION
c_bond_d_prot
X-RAY DIFFRACTION
c_angle_d
X-RAY DIFFRACTION
c_angle_d_na
X-RAY DIFFRACTION
c_angle_d_prot
X-RAY DIFFRACTION
c_angle_deg
1.08738
X-RAY DIFFRACTION
c_angle_deg_na
X-RAY DIFFRACTION
c_angle_deg_prot
X-RAY DIFFRACTION
c_dihedral_angle_d
X-RAY DIFFRACTION
c_dihedral_angle_d_na
X-RAY DIFFRACTION
c_dihedral_angle_d_prot
X-RAY DIFFRACTION
c_improper_angle_d
X-RAY DIFFRACTION
c_improper_angle_d_na
X-RAY DIFFRACTION
c_improper_angle_d_prot
X-RAY DIFFRACTION
c_mcbond_it
2.517
1.5
X-RAY DIFFRACTION
c_mcangle_it
3.881
2
X-RAY DIFFRACTION
c_scbond_it
4.817
2
X-RAY DIFFRACTION
c_scangle_it
7.727
2.5
LS refinement shell
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 50
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Num. reflection obs
2.15-2.16
0.221
51
0.225
444
495
2.16-2.18
0.251
58
0.218
470
528
2.18-2.19
0.249
48
0.217
455
503
2.19-2.21
0.228
42
0.187
468
510
2.21-2.23
0.232
48
0.191
434
482
2.23-2.24
0.264
58
0.204
454
512
2.24-2.26
0.241
39
0.223
441
480
2.26-2.28
0.276
46
0.216
468
514
2.28-2.3
0.315
44
0.231
486
530
2.3-2.32
0.235
32
0.208
462
494
2.32-2.34
0.229
46
0.203
481
527
2.34-2.36
0.366
39
0.22
461
500
2.36-2.38
0.223
52
0.199
480
532
2.38-2.4
0.325
40
0.21
464
504
2.4-2.42
0.248
50
0.212
445
495
2.42-2.44
0.246
57
0.225
459
516
2.44-2.47
0.379
42
0.238
471
513
2.47-2.49
0.446
30
0.223
503
533
2.49-2.52
0.305
54
0.215
518
572
2.52-2.55
0.305
51
0.201
419
470
2.55-2.58
0.233
37
0.22
499
536
2.58-2.61
0.257
45
0.209
504
549
2.61-2.64
0.248
31
0.217
511
542
2.64-2.67
0.241
49
0.238
485
534
2.67-2.71
0.275
56
0.204
489
545
2.71-2.74
0.293
50
0.235
495
545
2.74-2.78
0.218
54
0.224
506
560
2.78-2.83
0.213
45
0.192
483
528
2.83-2.87
0.324
53
0.225
502
555
2.87-2.92
0.247
49
0.221
516
565
2.92-2.97
0.259
64
0.238
473
537
2.97-3.02
0.302
68
0.224
496
564
3.02-3.08
0.24
52
0.216
524
576
3.08-3.14
0.273
59
0.201
480
539
3.14-3.21
0.291
36
0.193
514
550
3.21-3.28
0.246
56
0.218
531
587
3.28-3.36
0.271
67
0.203
479
546
3.36-3.46
0.206
71
0.201
509
580
3.46-3.56
0.253
59
0.176
507
566
3.56-3.67
0.189
62
0.178
518
580
3.67-3.8
0.198
36
0.188
514
550
3.8-3.95
0.236
71
0.179
522
593
3.95-4.13
0.165
74
0.164
486
560
4.13-4.35
0.178
69
0.185
490
559
4.35-4.61
0.218
61
0.157
529
590
4.61-4.97
0.144
48
0.154
519
567
4.97-5.46
0.2
53
0.192
510
563
5.46-6.23
0.256
39
0.216
539
578
6.23-7.77
0.342
60
0.247
514
574
7.77-20
0.185
68
0.189
494
562
Xplor file
Refine-ID
Serial no
Param file
X-RAY DIFFRACTION
1
protein_rep.par
X-RAY DIFFRACTION
2
water_rep.param
+
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