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. |