5BUS
O-succinylbenzoate Coenzyme A Synthetase (MenE) from Bacillus Subtilis, in complex with AMP
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 | 2014-12-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.973 |
Spacegroup name | P 43 |
Unit cell lengths | 121.811, 121.811, 98.013 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.520 - 2.603 |
R-factor | 0.1924 |
Rwork | 0.190 |
R-free | 0.23350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5buq |
RMSD bond length | 0.008 |
RMSD bond angle | 1.168 |
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] | 38.520 | 2.696 |
High resolution limit [Å] | 2.603 | 2.603 |
Rmerge | 0.136 | 0.864 |
Number of reflections | 43794 | |
<I/σ(I)> | 6.6 | 4.93 |
Completeness [%] | 99.5 | 99.34 |
Redundancy | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 0.1M HEPES pH7.5, 10% (w/v) PEG6000, 5% (v/v) MPD. |