Method to determine structure: MAD / Resolution: 3→20 Å / FOM work R set: 0.736 / σ(F): 2 / Stereochemistry target values: Engh & Huber / Details: THE FRIEDEL PAIRS WERE USED FOR PHASING
Rfactor
Num. reflection
% reflection
Rfree
0.339
1281
8 %
Rwork
0.274
-
-
obs
-
13650
85.4 %
Solvent computation
Bsol: 10 Å2
Displacement parameters
Biso mean: 25.126 Å2
Baniso -1
Baniso -2
Baniso -3
1-
2.701 Å2
0 Å2
0 Å2
2-
-
-4.728 Å2
0 Å2
3-
-
-
2.028 Å2
Refinement step
Cycle: LAST / Resolution: 3→20 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
1855
0
0
0
1855
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
X-RAY DIFFRACTION
c_mcbond_it
1.959
1.5
X-RAY DIFFRACTION
c_scbond_it
3.219
2
X-RAY DIFFRACTION
c_mcangle_it
3.173
2
X-RAY DIFFRACTION
c_scangle_it
5.071
2.5
LS refinement shell
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 25
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Num. reflection obs
3-3.04
0.519
48
0.346
413
461
3.04-3.08
0.352
44
0.309
398
442
3.08-3.13
0.333
46
0.313
409
455
3.13-3.18
0.34
51
0.332
414
465
3.18-3.23
0.3
32
0.268
483
515
3.23-3.29
0.354
39
0.259
481
520
3.29-3.35
0.342
44
0.301
454
498
3.35-3.41
0.324
58
0.289
440
498
3.41-3.48
0.444
47
0.303
516
563
3.48-3.55
0.314
39
0.287
502
541
3.55-3.64
0.425
51
0.265
443
494
3.64-3.73
0.364
55
0.287
557
612
3.73-3.83
0.299
69
0.251
468
537
3.83-3.94
0.31
49
0.209
542
591
3.94-4.06
0.312
66
0.245
512
578
4.06-4.21
0.255
45
0.239
507
552
4.21-4.38
0.233
58
0.215
579
637
4.38-4.57
0.219
42
0.203
519
561
4.57-4.81
0.268
57
0.231
552
609
4.81-5.11
0.332
50
0.237
530
580
5.11-5.49
0.494
48
0.314
548
596
5.49-6.03
0.38
65
0.305
526
591
6.03-6.87
0.323
64
0.287
505
569
6.87-8.55
0.355
59
0.304
538
597
8.55-20
0.415
55
0.351
533
588
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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