7AJO
The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with the cross-linking reaction intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979160 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.849, 102.328, 113.226 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.670 - 1.850 |
| R-factor | 0.1831 |
| Rwork | 0.181 |
| R-free | 0.21930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7aj9 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.651 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.670 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rpim | 0.069 | 1.042 |
| Number of reflections | 58138 | 3549 |
| <I/σ(I)> | 9 | 6.4 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.2 | 6.4 |
| CC(1/2) | 0.997 | 0.409 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | 0.1 M HEPES pH 7 + 10% PEG 8000 + 10% Ethylene Glycol |
