SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "HB" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "HB" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 6-STRANDED BARREL THIS IS REPRESENTED BY A 7-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL.
Mass: 18.015 Da / Num. of mol.: 326 / Source method: isolated from a natural source / Formula: H2O
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Details
Sequence details
ASP 14L WAS NOT BUILD DUE TO LACK OF ELECTRON DESITY RESIDUES 148-149E AND 246 WERE NOT BUILD DUE ...ASP 14L WAS NOT BUILD DUE TO LACK OF ELECTRON DESITY RESIDUES 148-149E AND 246 WERE NOT BUILD DUE TO LACK OF ELECTRON DESITY
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Experimental details
-
Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 2.5 Å3/Da / Density % sol: 50.71 % / Description: NONE
Crystal grow
pH: 7.5 Details: SEE MATERIALS AND METHODS SECTION OF PUBLICATION, pH 7.5
Resolution: 1.12→18.446 Å / SU ML: 0.08 / σ(F): 1.34 / Phase error: 11.84 / Stereochemistry target values: ML / Details: DISORDERED REGIONS WERE NOT MODELED.
Rfactor
Num. reflection
% reflection
Rfree
0.1382
6768
5 %
Rwork
0.122
-
-
obs
0.1228
134537
99.25 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parameters
Biso mean: 18.9 Å2
Refinement step
Cycle: LAST / Resolution: 1.12→18.446 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
2297
0
67
326
2690
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.011
2523
X-RAY DIFFRACTION
f_angle_d
1.445
3424
X-RAY DIFFRACTION
f_dihedral_angle_d
15.26
1000
X-RAY DIFFRACTION
f_chiral_restr
0.092
361
X-RAY DIFFRACTION
f_plane_restr
0.009
437
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.1197-1.1325
0.2099
220
0.204
4096
X-RAY DIFFRACTION
96
1.1325-1.1458
0.1888
218
0.1789
4266
X-RAY DIFFRACTION
99
1.1458-1.1597
0.1743
240
0.1757
4231
X-RAY DIFFRACTION
100
1.1597-1.1744
0.1739
182
0.1607
4331
X-RAY DIFFRACTION
100
1.1744-1.1899
0.1603
244
0.1594
4259
X-RAY DIFFRACTION
100
1.1899-1.2062
0.1838
221
0.1551
4243
X-RAY DIFFRACTION
100
1.2062-1.2234
0.1667
241
0.1474
4311
X-RAY DIFFRACTION
100
1.2234-1.2417
0.1691
226
0.1386
4226
X-RAY DIFFRACTION
100
1.2417-1.2611
0.1537
230
0.1327
4292
X-RAY DIFFRACTION
100
1.2611-1.2817
0.1431
259
0.1278
4268
X-RAY DIFFRACTION
100
1.2817-1.3038
0.1519
220
0.1227
4255
X-RAY DIFFRACTION
100
1.3038-1.3275
0.1443
231
0.1141
4314
X-RAY DIFFRACTION
100
1.3275-1.353
0.1304
210
0.1098
4301
X-RAY DIFFRACTION
100
1.353-1.3807
0.1182
229
0.1057
4256
X-RAY DIFFRACTION
100
1.3807-1.4107
0.1281
190
0.1009
4310
X-RAY DIFFRACTION
100
1.4107-1.4435
0.1153
234
0.0916
4252
X-RAY DIFFRACTION
100
1.4435-1.4796
0.1073
210
0.0922
4340
X-RAY DIFFRACTION
100
1.4796-1.5195
0.1087
215
0.0895
4287
X-RAY DIFFRACTION
100
1.5195-1.5642
0.1138
246
0.0842
4278
X-RAY DIFFRACTION
100
1.5642-1.6147
0.1064
231
0.0872
4275
X-RAY DIFFRACTION
100
1.6147-1.6724
0.1125
234
0.0907
4272
X-RAY DIFFRACTION
100
1.6724-1.7393
0.1132
238
0.0932
4260
X-RAY DIFFRACTION
100
1.7393-1.8184
0.1164
213
0.0999
4270
X-RAY DIFFRACTION
100
1.8184-1.9141
0.1214
215
0.1096
4300
X-RAY DIFFRACTION
99
1.9141-2.0339
0.1341
264
0.1085
4233
X-RAY DIFFRACTION
99
2.0339-2.1907
0.1325
240
0.1077
4268
X-RAY DIFFRACTION
99
2.1907-2.4108
0.1469
226
0.1174
4275
X-RAY DIFFRACTION
99
2.4108-2.7586
0.1467
227
0.1289
4254
X-RAY DIFFRACTION
98
2.7586-3.4718
0.1509
207
0.1364
4183
X-RAY DIFFRACTION
97
3.4718-18.4487
0.145
207
0.1456
4063
X-RAY DIFFRACTION
92
+
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