4R37
Crystal structure analysis of LpxA, a UDP-N-acetylglucosamine acyltransferase from Bacteroides fragilis 9343 with UDP-GlcNAc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.12709 |
| Spacegroup name | P 41 3 2 |
| Unit cell lengths | 149.403, 149.403, 149.403 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.000 - 1.900 |
| R-factor | 0.14928 |
| Rwork | 0.147 |
| R-free | 0.18513 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lxa |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.798 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 105.640 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.052 | 0.357 |
| Number of reflections | 45186 | |
| <I/σ(I)> | 30 | 5.6 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 7.1 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 28 % PEG600, 200 mM Calcium Acetate, 100 mM Sodium Cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
