7CYK
Crystal structure of a second cysteine-pair mutant (V110C-I197C) 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 | 2020-07-18 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9785 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 190.421, 46.652, 70.781 |
Unit cell angles | 90.00, 101.01, 90.00 |
Refinement procedure
Resolution | 45.264 - 2.785 |
R-factor | 0.228 |
Rwork | 0.226 |
R-free | 0.26720 |
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] | 45.264 | 45.264 | 2.833 |
High resolution limit [Å] | 2.785 | 7.550 | 2.785 |
Rmerge | 0.118 | 0.052 | 0.659 |
Rmeas | 0.133 | 0.058 | 0.741 |
Rpim | 0.059 | 0.026 | 0.334 |
Number of reflections | 15615 | 831 | 780 |
<I/σ(I)> | 8 | ||
Completeness [%] | 99.9 | 99.4 | 100 |
Redundancy | 5 | 4.51 | 4.81 |
CC(1/2) | 0.996 | 0.997 | 0.708 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 4.5 | 293.15 | 0.1 M NaCl, 0.1M Na+-citrate pH 4.5, 32% PEG 500 MME |