4FKZ
Crystal structure of Bacillus subtilis UDP-GlcNAc 2-epimerase in complex with UDP-GlcNAc and UDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-03 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 91.289, 209.338, 46.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.290 - 1.690 |
| R-factor | 0.1718 |
| Rwork | 0.170 |
| R-free | 0.19875 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3beo |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.290 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.750 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.057 | 0.426 |
| Number of reflections | 99875 | |
| <I/σ(I)> | 18.53 | 3.07 |
| Completeness [%] | 98.0 | 98.2 |
| Redundancy | 3.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 70% MPD, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
