6Q0A
Crystal structure of MurA from Clostridium difficile, mutation C116D, n the presence of UDP-N-acetylmuramic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-06-23 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9987 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 139.409, 139.409, 139.409 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.740 - 1.650 |
| R-factor | 0.1707 |
| Rwork | 0.169 |
| R-free | 0.19980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6q03 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.732 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 53427 | 2379 |
| <I/σ(I)> | 80.3 | 4.8 |
| Completeness [%] | 99.1 | 89.1 |
| Redundancy | 20.9 | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 10% PEG 8000, 1 M NMe4Cl, 200 mM NaCl, 100 mM MOPS |
