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 |