3OT5
2.2 Angstrom Resolution Crystal Structure of putative UDP-N-acetylglucosamine 2-epimerase from Listeria monocytogenes
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 | 2010-07-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.190, 84.405, 100.461 |
| Unit cell angles | 90.00, 90.07, 90.00 |
Refinement procedure
| Resolution | 29.590 - 2.200 |
| R-factor | 0.18967 |
| Rwork | 0.187 |
| R-free | 0.23474 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3beo |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.378 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.046 | 0.523 |
| Number of reflections | 67586 | |
| <I/σ(I)> | 22.4 | 2.06 |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 295 | Protein: 7.4mGr/mL, 0.5 Sodium cloride, 0.01M Tris-HCl pH 8.3; Screen: PEGs II (H1), 0.01M tri-Sodium citrate, 33% (w/v) PEG6000, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
