4EWL
Crystal Structure of MshB with glycerol and Acetate bound in the active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 147.379, 71.903, 97.681 |
| Unit cell angles | 90.00, 128.29, 90.00 |
Refinement procedure
| Resolution | 76.670 - 1.850 |
| R-factor | 0.191 |
| Rwork | 0.189 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q7t |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.912 |
| Data scaling software | XSCALE |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.670 | 1.960 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.080 | 0.668 |
| Number of reflections | 68135 | |
| <I/σ(I)> | 14.57 | 2.32 |
| Completeness [%] | 99.3 | 98.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 294 | 0.1 M sodium acetate, 0.2 M ammonium sulphate, 25 % PEG 4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
