5NRI
Crystal structure of Burkholderia pseudomallei D-alanine-D-alanine ligase in complex with AMP and D-Ala-D-Ala
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 | 69.642, 61.133, 69.972 |
| Unit cell angles | 90.00, 90.31, 90.00 |
Refinement procedure
| Resolution | 69.970 - 1.500 |
| R-factor | 0.13616 |
| Rwork | 0.133 |
| R-free | 0.20767 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | see publication |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.583 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 69.970 |
| High resolution limit [Å] | 1.500 |
| Number of reflections | 90609 |
| <I/σ(I)> | 10.5 |
| Completeness [%] | 96.6 |
| Redundancy | 3.1 |
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 |
