5NRH
Crystal structure of Burkholderia pseudomallei D-alanine-D-alanine ligase in complex with AMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2015-02-04 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.917410 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.648, 61.150, 70.079 |
| Unit cell angles | 90.00, 90.17, 90.00 |
Refinement procedure
| Resolution | 70.080 - 1.300 |
| R-factor | 0.14825 |
| Rwork | 0.146 |
| R-free | 0.19007 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | See publication |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.247 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 70.080 |
| High resolution limit [Å] | 1.300 |
| Number of reflections | 141049 |
| <I/σ(I)> | 15 |
| Completeness [%] | 97.6 |
| Redundancy | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 0.05 to 0.3 M Li2SO4, 0.1 M Bis-Tris pH 5.5 and 15-30% (w/v) PEG 3350, ratio protein:reservoir 1:1 |
