Mass: 16741.719 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Penaeus vannamei (Pacific white shrimp) Production host: Escherichia coli (E. coli) / References: UniProt: Q95V66, lysozyme
Resolution: 2.25→35.692 Å / Cor.coef. Fo:Fc: 0.935 / Cor.coef. Fo:Fc free: 0.901 / SU B: 6.762 / SU ML: 0.161 / Cross valid method: THROUGHOUT / ESU R: 0.52 / ESU R Free: 0.273 Details: Hydrogens have been added in their riding positions
Rfactor
Num. reflection
% reflection
Rfree
0.2463
622
9.92 %
Rwork
0.1998
-
-
all
0.204
-
-
obs
-
6270
86.162 %
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å
Displacement parameters
Biso mean: 23.065 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.268 Å2
-0.134 Å2
0 Å2
2-
-
-0.268 Å2
0 Å2
3-
-
-
0.871 Å2
Refinement step
Cycle: LAST / Resolution: 2.25→35.692 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
1084
0
6
66
1156
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.008
0.013
1115
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.018
980
X-RAY DIFFRACTION
r_ext_dist_refined_d
0.198
0.01
82
X-RAY DIFFRACTION
r_angle_refined_deg
1.527
1.646
1500
X-RAY DIFFRACTION
r_angle_other_deg
1.382
1.594
2268
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
7.681
5
132
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
32.047
21.389
72
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
15.192
15
194
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
22.238
15
11
X-RAY DIFFRACTION
r_chiral_restr
0.068
0.2
139
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.02
1265
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
272
X-RAY DIFFRACTION
r_nbd_refined
0.213
0.2
221
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.195
0.2
935
X-RAY DIFFRACTION
r_nbtor_refined
0.174
0.2
545
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.076
0.2
490
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.181
0.2
60
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.068
0.2
1
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.025
0.2
5
X-RAY DIFFRACTION
r_nbd_other
0.186
0.2
32
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.11
0.2
4
X-RAY DIFFRACTION
r_mcbond_it
1.66
2.314
531
X-RAY DIFFRACTION
r_mcbond_other
1.659
2.31
530
X-RAY DIFFRACTION
r_mcangle_it
2.614
3.461
662
X-RAY DIFFRACTION
r_mcangle_other
2.612
3.465
663
X-RAY DIFFRACTION
r_scbond_it
1.995
2.549
584
X-RAY DIFFRACTION
r_scbond_other
1.993
2.553
585
X-RAY DIFFRACTION
r_scangle_it
3.16
3.714
838
X-RAY DIFFRACTION
r_scangle_other
3.158
3.718
839
X-RAY DIFFRACTION
r_lrange_it
5.68
42.407
4694
X-RAY DIFFRACTION
r_lrange_other
5.654
42.39
4660
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.25-2.309
0.392
46
0.286
445
X-RAY DIFFRACTION
89.7623
2.309-2.372
0.261
46
0.254
418
X-RAY DIFFRACTION
91.5187
2.372-2.441
0.262
46
0.224
407
X-RAY DIFFRACTION
89.881
2.441-2.516
0.244
46
0.22
417
X-RAY DIFFRACTION
92.9719
2.516-2.598
0.334
37
0.212
392
X-RAY DIFFRACTION
88.4536
2.598-2.689
0.248
41
0.207
351
X-RAY DIFFRACTION
86.918
2.689-2.791
0.267
39
0.199
347
X-RAY DIFFRACTION
87.7273
2.791-2.904
0.281
34
0.214
336
X-RAY DIFFRACTION
87.6777
2.904-3.033
0.261
39
0.187
325
X-RAY DIFFRACTION
86.052
3.033-3.181
0.208
34
0.185
300
X-RAY DIFFRACTION
88.1266
3.181-3.353
0.212
32
0.187
298
X-RAY DIFFRACTION
87.766
3.353-3.556
0.202
35
0.188
260
X-RAY DIFFRACTION
81.9444
3.556-3.8
0.252
23
0.176
241
X-RAY DIFFRACTION
78.806
3.8-4.104
0.193
24
0.179
216
X-RAY DIFFRACTION
77.4193
4.104-4.494
0.277
22
0.162
205
X-RAY DIFFRACTION
78.8194
4.494-5.022
0.176
23
0.164
196
X-RAY DIFFRACTION
83.27
5.794-7.085
0.407
18
0.212
155
X-RAY DIFFRACTION
83.9806
+
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