A: Major chlorophyll a/b binding protein LHCb1.3 B: Major chlorophyll a/b binding protein LHCb1.3 C: Major chlorophyll a/b binding protein LHCb1.3 hetero molecules
Resolution: 2.6→43.45 Å / SU ML: 0.26 / σ(F): 1.35 / Phase error: 26.38 / Stereochemistry target values: ML Details: MATTHEW COEFFICIENT AND SOLVENT CONTENT HAVE BEEN CALCULATED BY SFCHECK CONTAINED IN THE CCP4 SUITE.
Rfactor
Num. reflection
% reflection
Rfree
0.258
3045
5.02 %
Rwork
0.25
-
-
obs
0.251
60663
86.4 %
all
-
60673
-
Solvent computation
Shrinkage radii: 0.86 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 60 Å2 / ksol: 0.4 e/Å3
Displacement parameters
Baniso -1
Baniso -2
Baniso -3
1-
5.9124 Å2
0 Å2
0.3 Å2
2-
-
6.6287 Å2
0 Å2
3-
-
-
-2.1755 Å2
Refinement step
Cycle: LAST / Resolution: 2.6→43.45 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
4737
0
3123
156
8016
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.01
8375
X-RAY DIFFRACTION
f_angle_d
2.194
11929
X-RAY DIFFRACTION
f_dihedral_angle_d
22.318
3482
X-RAY DIFFRACTION
f_chiral_restr
0.118
989
X-RAY DIFFRACTION
f_plane_restr
0.005
1353
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.6-2.6377
0.2752
19
0.2844
484
X-RAY DIFFRACTION
16
2.6377-2.681
0.2231
43
0.2788
834
X-RAY DIFFRACTION
27
2.681-2.7272
0.3125
56
0.282
1180
X-RAY DIFFRACTION
39
2.7272-2.7768
0.3521
70
0.273
1663
X-RAY DIFFRACTION
55
2.7768-2.8302
0.2884
122
0.2835
2377
X-RAY DIFFRACTION
78
2.8302-2.8879
0.3046
147
0.2741
2838
X-RAY DIFFRACTION
93
2.8879-2.9507
0.2813
155
0.2687
2976
X-RAY DIFFRACTION
98
2.9507-3.0193
0.287
127
0.2666
3004
X-RAY DIFFRACTION
99
3.0193-3.0948
0.2782
163
0.2692
2975
X-RAY DIFFRACTION
100
3.0948-3.1785
0.276
180
0.2613
3015
X-RAY DIFFRACTION
100
3.1785-3.272
0.2545
183
0.2424
2996
X-RAY DIFFRACTION
100
3.272-3.3776
0.2405
174
0.235
3029
X-RAY DIFFRACTION
100
3.3776-3.4982
0.2279
152
0.226
3021
X-RAY DIFFRACTION
100
3.4982-3.6382
0.2395
141
0.2335
3036
X-RAY DIFFRACTION
100
3.6382-3.8037
0.2453
176
0.2266
3007
X-RAY DIFFRACTION
100
3.8037-4.0041
0.2196
163
0.2278
3021
X-RAY DIFFRACTION
100
4.0041-4.2548
0.2409
175
0.2326
3017
X-RAY DIFFRACTION
100
4.2548-4.583
0.2587
165
0.2379
3013
X-RAY DIFFRACTION
100
4.583-5.0436
0.2382
160
0.2306
3010
X-RAY DIFFRACTION
100
5.0436-5.7719
0.2522
150
0.2616
3080
X-RAY DIFFRACTION
100
5.7719-7.2665
0.2591
162
0.2723
3020
X-RAY DIFFRACTION
99
7.2665-43.4615
0.3039
162
0.2886
3022
X-RAY DIFFRACTION
97
Refinement TLS params.
Method: refined / Origin x: 11.4897 Å / Origin y: 53.4186 Å / Origin z: 24.9062 Å
11
12
13
21
22
23
31
32
33
T
0.0368 Å2
-0.0126 Å2
-0.0032 Å2
-
0.0598 Å2
-0.0263 Å2
-
-
-0.0455 Å2
L
2.1119 °2
-0.198 °2
0.2494 °2
-
1.8646 °2
0.0201 °2
-
-
1.5702 °2
S
0.1963 Å °
-0.2008 Å °
-0.0479 Å °
0.1189 Å °
0.1812 Å °
-0.1152 Å °
0.0152 Å °
0.0496 Å °
-0.2123 Å °
Refinement TLS group
ID
Refine-ID
Refine TLS-ID
Selection details
Auth asym-ID
Auth seq-ID
1
X-RAY DIFFRACTION
1
all
A
14 - 458
2
X-RAY DIFFRACTION
1
all
C
14 - 451
3
X-RAY DIFFRACTION
1
all
B
14 - 447
+
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