3TX1
X-ray crystal structure of Listeria monocytogenes EGD-e UDP-N-acetylenolpyruvylglucosamine reductase (MurB)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 95.210, 95.210, 189.895 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.690 |
| R-factor | 0.21566 |
| Rwork | 0.213 |
| R-free | 0.26851 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hsk |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.050 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.740 |
| High resolution limit [Å] | 2.690 | 2.690 |
| Rmerge | 0.075 | 0.370 |
| Number of reflections | 14888 | |
| <I/σ(I)> | 42.7 | 6.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 15.6 | 14.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 293 | 2.2 M Ammonium sulfate, 20% w/v Glycerol, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
