#191 - Nov 2015 Glutamate-gated Chloride Receptors similarity (4)
-
Assembly
Deposited unit
A: Acetylcholine-binding protein B: Acetylcholine-binding protein C: Acetylcholine-binding protein D: Acetylcholine-binding protein E: Acetylcholine-binding protein G: Ribbon alpha-conotoxin AusIA
Resolution: 2.46→48.3 Å / Cor.coef. Fo:Fc: 0.948 / Cor.coef. Fo:Fc free: 0.938 / SU B: 21.205 / SU ML: 0.218 / Cross valid method: THROUGHOUT / ESU R: 0.504 / ESU R Free: 0.267 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: U VALUES : WITH TLS ADDED HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : RESIDUAL ONLY
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24046
1996
4.5 %
RANDOM
Rwork
0.21126
-
-
-
obs
0.21262
42280
98.89 %
-
Solvent computation
Ion probe radii: 0.9 Å / Shrinkage radii: 0.9 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parameters
Biso mean: 75.417 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.61 Å2
0.31 Å2
0 Å2
2-
-
0.61 Å2
-0 Å2
3-
-
-
-1.99 Å2
Refinement step
Cycle: LAST / Resolution: 2.46→48.3 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
8219
0
0
67
8286
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.013
0.017
8407
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.019
7688
X-RAY DIFFRACTION
r_angle_refined_deg
1.683
1.846
11470
X-RAY DIFFRACTION
r_angle_other_deg
1.102
2.661
17724
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
7.614
5
1017
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
32.446
22.122
476
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
16.157
15
1383
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
14.867
15
67
X-RAY DIFFRACTION
r_chiral_restr
0.104
0.2
1307
X-RAY DIFFRACTION
r_gen_planes_refined
0.006
0.02
9473
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
1949
X-RAY DIFFRACTION
r_mcbond_it
3.13
4.493
4104
X-RAY DIFFRACTION
r_mcbond_other
3.129
4.493
4103
X-RAY DIFFRACTION
r_mcangle_it
4.764
6.74
5109
X-RAY DIFFRACTION
r_mcangle_other
4.763
6.74
5110
X-RAY DIFFRACTION
r_scbond_it
3.79
4.83
4303
X-RAY DIFFRACTION
r_scbond_other
3.789
4.83
4303
X-RAY DIFFRACTION
r_scangle_other
5.667
7.105
6362
X-RAY DIFFRACTION
r_long_range_B_refined
8.497
52.288
8971
X-RAY DIFFRACTION
r_long_range_B_other
8.497
52.287
8971
LS refinement shell
Resolution: 2.46→2.523 Å
Rfactor
Num. reflection
% reflection
Rfree
0.348
137
-
Rwork
0.306
2972
-
obs
-
-
96.52 %
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
2.1927
-0.0669
0.3606
2.1026
-0.5607
4.1475
-0.0504
-0.4791
0.2426
0.26
0.0808
0.2529
-0.4858
-0.609
-0.0304
0.1818
0.1173
0.0391
0.3933
-0.0526
0.0614
12.722
-15.497
33.029
2
2.134
-0.2472
0.6453
2.4093
0.693
3.7434
-0.0981
-0.097
0.1784
0.0494
-0.0734
-0.2874
-0.1871
0.5999
0.1716
0.0687
-0.03
-0.0048
0.1912
0.0639
0.0723
53.169
-16.411
16.886
3
3.3736
-0.5474
-0.2165
1.726
0.1964
2.434
-0.0407
-0.5341
-0.0963
0.2668
0.1239
0.0048
0.1191
-0.2152
-0.0831
0.219
0.0075
-0.008
0.366
0.0676
0.0136
27.153
-30.451
49.797
4
2.5759
0.0768
-0.2975
2.7835
-0.7189
3.9346
0.0378
-0.3959
-0.0028
0.0984
-0.1378
-0.2681
-0.0053
0.4502
0.1
0.0997
0.0554
-0.0325
0.3157
0.0589
0.0559
52.265
-30.523
39.693
5
4.0675
0.8018
-0.1409
0.7308
-0.406
2.2317
-0.0432
-0.1849
0.5223
-0.0237
-0.0473
0.0563
-0.4805
0.0046
0.0905
0.1893
0.0339
-0.0329
0.0258
-0.0301
0.0772
28.501
-7.093
12.989
6
17.5852
14.1184
8.4056
17.3698
0.778
9.9285
-0.3811
-1.0555
1.8536
0.738
0.3096
2.3161
-1.2535
-1.645
0.0715
0.5156
0.192
0.1385
0.8612
0.0863
0.4042
6.905
-22.735
44.621
Refinement TLS group
ID
Refine-ID
Refine TLS-ID
Auth asym-ID
Auth seq-ID
1
X-RAY DIFFRACTION
1
A
1 - 205
2
X-RAY DIFFRACTION
2
B
1 - 205
3
X-RAY DIFFRACTION
3
C
1 - 205
4
X-RAY DIFFRACTION
4
D
1 - 204
5
X-RAY DIFFRACTION
5
E
1 - 205
6
X-RAY DIFFRACTION
6
G
2 - 15
+
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