F1F0 ATP synthase subunit C / F1FO ATP Synthase / ATP synthase, F0 complex, subunit C / F1F0 ATP synthase subunit C superfamily / ATP synthase, F0 complex, subunit C, DCCD-binding site / ATP synthase c subunit signature. / V-ATPase proteolipid subunit C-like domain / F/V-ATP synthase subunit C superfamily / ATP synthase subunit C / Up-down Bundle / Mainly Alpha Similarity search - Domain/homology
Resolution: 2→50 Å / Cor.coef. Fo:Fc: 0.946 / Cor.coef. Fo:Fc free: 0.934 / SU B: 6.27 / SU ML: 0.085 / Isotropic thermal model: isotropic / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.201 / ESU R Free: 0.16 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.22145
1246
5.1 %
RANDOM
Rwork
0.19986
-
-
-
obs
0.20093
23261
95.07 %
-
all
-
24467
-
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK
Displacement parameters
Biso mean: 23.234 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.92 Å2
0 Å2
0 Å2
2-
-
0.92 Å2
0 Å2
3-
-
-
-1.83 Å2
Refinement step
Cycle: LAST / Resolution: 2→50 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
2644
0
0
85
2729
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.008
0.019
2799
X-RAY DIFFRACTION
r_angle_refined_deg
1.035
2.006
3818
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
3.779
5
413
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
35.905
23.231
65
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
14.318
15
450
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
12.043
15
5
X-RAY DIFFRACTION
r_chiral_restr
0.07
0.2
497
X-RAY DIFFRACTION
r_gen_planes_refined
0.005
0.021
1960
LS refinement shell
Resolution: 2.004→2.056 Å / Total num. of bins used: 20
Rfactor
Num. reflection
% reflection
Rfree
0.241
84
-
Rwork
0.195
1414
-
obs
-
1498
91.06 %
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
0.3864
-0.0143
-0.5153
0.3311
-0.4672
8.6151
0.0521
-0.1023
0.0445
0.0998
0.0006
-0.0166
-0.0723
0.1245
-0.0526
0.0417
-0.0158
-0.0055
0.0277
-0.0062
0.059
34.9887
11.0341
32.8878
2
0.1255
0.0057
-0.4443
0.218
-0.8553
12.3425
-0.0348
-0.0829
0.035
0.1443
-0.0914
-0.0073
-0.4189
0.4788
0.1262
0.1074
-0.0358
-0.0046
0.0914
-0.0212
0.1088
35.1033
19.0878
27.6511
3
0.4142
0.054
-0.4407
0.4602
-1.2808
12.1474
0.1077
-0.0904
0.0809
0.1073
0.0612
0.0025
-0.1226
-0.0168
-0.1688
0.0545
-0.0076
0.009
0.0326
-0.0139
0.0454
27.0365
13.3191
32.0025
4
0.0981
-0.0693
0.0012
0.1129
-0.4592
10.8151
-0.0651
-0.0569
0.0365
0.1119
-0.0139
-0.0236
-0.5612
0.0258
0.079
0.1161
-0.0145
-0.0039
0.0888
-0.0236
0.1007
22.5249
20.2251
28.171
5
0.4009
-0.0522
0.4423
0.4834
-1.4589
11.8546
0.0576
-0.1126
0.0174
0.1268
0.0253
0.0529
-0.1803
-0.1557
-0.083
0.0491
-0.0127
0.0171
0.0339
-0.0119
0.0391
19.2523
10.6629
32.0765
6
0.2601
0.1044
0.5245
0.2565
-0.7682
13.6536
0.0002
-0.1396
0.0473
0.1238
-0.0376
0.07
-0.5141
-0.3943
0.0373
0.0781
0.0256
0.028
0.1107
-0.0273
0.1202
11.4906
13.7284
28.6304
7
0.3666
-0.1432
1.2584
0.437
-0.9942
13.3476
0.0366
-0.1044
-0.0283
0.1055
0.0569
0.064
-0.0691
-0.314
-0.0935
0.0418
-0.0084
0.0206
0.0372
-0.0056
0.0513
14.429
4.0255
32.2929
8
0.2004
0.0866
0.8248
0.2414
-0.3078
12.1565
0.0078
-0.1273
0.0478
0.1132
-0.0109
0.0427
-0.2637
-0.561
0.003
0.064
0.0068
0.0234
0.1466
-0.0153
0.1287
6.4834
1.9352
28.3023
9
0.4843
-0.0878
1.4413
0.3373
0.085
16.6432
0.121
-0.1241
-0.059
0.0779
0.1108
0.052
0.1246
-0.1665
-0.2318
0.0689
-0.0104
0.0097
0.0605
0.0095
0.0524
14.426
-4.2586
32.1594
10
0.4185
0.0028
1.0739
0.22
0.5573
11.1695
0.0041
-0.1362
-0.051
0.1134
-0.0492
0.0526
0.0449
-0.5665
0.0451
0.0748
-0.0419
0.0246
0.1027
0.0017
0.1184
9.1992
-10.6591
28.2197
Refinement TLS group
ID
Refine-ID
Refine TLS-ID
Auth asym-ID
Auth seq-ID
1
X-RAY DIFFRACTION
1
K
1 - 41
2
X-RAY DIFFRACTION
2
K
42 - 74
3
X-RAY DIFFRACTION
3
L
1 - 41
4
X-RAY DIFFRACTION
4
L
42 - 74
5
X-RAY DIFFRACTION
5
M
1 - 41
6
X-RAY DIFFRACTION
6
M
42 - 75
7
X-RAY DIFFRACTION
7
N
1 - 41
8
X-RAY DIFFRACTION
8
N
42 - 74
9
X-RAY DIFFRACTION
9
O
1 - 41
10
X-RAY DIFFRACTION
10
O
42 - 74
+
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