6Q03
Crystal structure of MurA from Clostridium difficile in the presence of UDP-N-acetyl-alpha-D-muramic acid with modified Cys116 (S-[(1S)-1-carboxy-1-(phosphonooxy)ethyl]-L-cysteine)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-11-17 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 138.946, 138.946, 138.946 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 98.250 - 1.700 |
| R-factor | 0.1844 |
| Rwork | 0.182 |
| R-free | 0.22250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3swe |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.784 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 98.250 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 47927 | 7205 |
| <I/σ(I)> | 10 | 1.7 |
| Completeness [%] | 97.8 | 94 |
| Redundancy | 5.4 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 10% PEG 8000, 1M NMe4Cl, 200 mM NaCl |
