6EYL
Crystal structure of OpuBC in complex with carnitine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-11-17 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 0.8726 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 29.710, 66.610, 126.990 |
| Unit cell angles | 90.00, 91.84, 90.00 |
Refinement procedure
| Resolution | 42.300 - 1.500 |
| R-factor | 0.1629 |
| Rwork | 0.161 |
| R-free | 0.19240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3r6u |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.075 |
| 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] | 42.300 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 79124 | 7903 |
| <I/σ(I)> | 9.2 | 4.1 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 4.4 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 5 | 273 | PEG 3350 phosphate buffer |
