6EYQ
Crystal structure of a mutated OpuBC in complex with choline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-11-18 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 0.9730 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 29.659, 66.323, 126.473 |
| Unit cell angles | 90.00, 91.62, 90.00 |
Refinement procedure
| Resolution | 42.100 - 1.500 |
| R-factor | 0.1505 |
| Rwork | 0.150 |
| R-free | 0.17220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3r6u |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.222 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.100 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 77957 | 7783 |
| <I/σ(I)> | 25.6 | 12 |
| Completeness [%] | 99.3 | 99.3 |
| Redundancy | 6.5 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 5 | 273 | PEG3350 phosphatte buffer |
