Resolution: 1.175→25.318 Å / SU ML: 0.13 / σ(F): 1.34 / Phase error: 14.24 / Stereochemistry target values: ML Details: ASN101 LIES BEYOND THE REASONABLE RANGE OF RAMACHANDRAN PLOT DUE TO ITS INTERACTION WITH THE SURROUNDING RESIDUES. THUS, ASN101 IS LIMITED IN A RIGID CONDITION.
Rfactor
Num. reflection
% reflection
Rfree
0.1693
1809
5 %
Rwork
0.1564
-
-
obs
0.1571
36101
99 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 31.88 Å2 / ksol: 0.37 e/Å3
Displacement parameters
Biso mean: 10.24 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.0998 Å2
0 Å2
-1.4265 Å2
2-
-
-0.5234 Å2
0 Å2
3-
-
-
0.4236 Å2
Refinement step
Cycle: LAST / Resolution: 1.175→25.318 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
826
0
34
219
1079
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.005
883
X-RAY DIFFRACTION
f_angle_d
1.189
1204
X-RAY DIFFRACTION
f_dihedral_angle_d
32.94
343
X-RAY DIFFRACTION
f_chiral_restr
0.082
135
X-RAY DIFFRACTION
f_plane_restr
0.005
147
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.1754-1.2174
0.1724
158
0.1566
3389
X-RAY DIFFRACTION
99
1.2174-1.2661
0.1552
163
0.1506
3427
X-RAY DIFFRACTION
100
1.2661-1.3237
0.1756
196
0.1465
3441
X-RAY DIFFRACTION
100
1.3237-1.3935
0.1602
159
0.1468
3445
X-RAY DIFFRACTION
100
1.3935-1.4808
0.1634
192
0.14
3422
X-RAY DIFFRACTION
100
1.4808-1.5951
0.1417
177
0.1352
3444
X-RAY DIFFRACTION
100
1.5951-1.7556
0.1769
180
0.1453
3466
X-RAY DIFFRACTION
100
1.7556-2.0096
0.1472
195
0.1532
3404
X-RAY DIFFRACTION
98
2.0096-2.5315
0.192
203
0.1584
3301
X-RAY DIFFRACTION
96
2.5315-25.3238
0.1641
186
0.1632
3553
X-RAY DIFFRACTION
98
+
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