7CYG
Crystal structure of a cysteine-pair mutant (Y113C-P190C) of a bacterial bile acid transporter before disulfide bond formation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-01-07 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9785 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 189.605, 47.164, 70.681 |
Unit cell angles | 90.00, 100.84, 90.00 |
Refinement procedure
Resolution | 35.684 - 3.198 |
R-factor | 0.2646 |
Rwork | 0.263 |
R-free | 0.30140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4n7w |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.3) |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.720 | 45.720 | 3.254 |
High resolution limit [Å] | 3.198 | 9.142 | 3.198 |
Rmerge | 0.107 | 0.039 | 0.372 |
Rmeas | 0.124 | 0.046 | 0.429 |
Rpim | 0.061 | 0.024 | 0.210 |
Total number of observations | 37170 | 1673 | 1863 |
Number of reflections | 9572 | 478 | 479 |
<I/σ(I)> | 11 | 22.6 | 3.8 |
Completeness [%] | 91.7 | 99.6 | 93.7 |
Redundancy | 3.9 | 3.5 | 3.9 |
CC(1/2) | 0.994 | 0.998 | 0.879 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 4.7 | 293.15 | 0.1 M Na+-phosphate/citrate pH 4.7, 36% PEG 300 |