7BVB
Crystal structure of UDP-N-acetylmuramic Acid L-alanine ligase (MurC) from Mycobacterium bovis in complex with UDP-N-acetylglucosamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 11C |
Synchrotron site | PAL/PLS |
Beamline | 11C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9794 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 65.285, 75.762, 104.679 |
Unit cell angles | 90.00, 105.92, 90.00 |
Refinement procedure
Resolution | 39.251 - 3.191 |
R-factor | 0.1978 |
Rwork | 0.195 |
R-free | 0.24690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hv4 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.549 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.360 |
High resolution limit [Å] | 3.190 | 3.190 |
Rmerge | 0.417 | |
Number of reflections | 16184 | 811 |
<I/σ(I)> | 31.4 | |
Completeness [%] | 98.7 | |
Redundancy | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | 0.1M HEPES pH 7.5, 0.2M NaCl, 30% (w/v) PEG 1500, 5% (v/v) MPD, 2mM UNAG |