5BUQ
Unliganded Form of O-succinylbenzoate Coenzyme A Synthetase (MenE) from Bacillus Subtilis, Solved at 1.98 Angstroms
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 | 2014-04-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.973 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.780, 76.910, 93.870 |
| Unit cell angles | 90.00, 114.93, 90.00 |
Refinement procedure
| Resolution | 33.270 - 1.980 |
| R-factor | 0.1624 |
| Rwork | 0.161 |
| R-free | 0.19970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3IPL(N-domain of S. aureus MenE) chainA |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.999 |
| Data reduction software | iMOSFLM (Version 6.4.0) |
| Phasing software | PHENIX (1.8.4_1496) |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.270 | 2.051 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.048 | 0.204 |
| Number of reflections | 73620 | |
| <I/σ(I)> | 22.06 | 9.05 |
| Completeness [%] | 98.8 | 99.15 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.15 | 293 | 8.1% (w/v) PEG8000, 0.09M cacodylate/HCl pH 6.15, 0.144M calcium acetate, 12.6% glycerol with additive agent of 0.049M sodium phosphate monobasic and 0.091M Potassium phosphate dibasic |
