5BUR
O-succinylbenzoate Coenzyme A Synthetase (MenE) from Bacillus Subtilis, in Complex with ATP and Magnesium Ion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.973 |
| Spacegroup name | P 43 |
| Unit cell lengths | 121.835, 121.835, 97.801 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.390 - 2.820 |
| R-factor | 0.2061 |
| Rwork | 0.204 |
| R-free | 0.25240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.297 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.390 | 2.920 |
| High resolution limit [Å] | 2.820 | 2.820 |
| Rmerge | 0.091 | 0.692 |
| Number of reflections | 49305 | |
| <I/σ(I)> | 30 | 3.68 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 289 | 7.2% (v/v) ethylene glycol, 9.9% (w/v) PEG8000, 0.09M HEPES pH7.7, 3.5% (v/v) 2-methyl-2,4-pentanediol (MPD) and 0.01M sodium acetate. |
