5FM0
Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis (PtCl4 derivative)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-08-06 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.610, 78.360, 166.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 83.350 - 2.440 |
| R-factor | 0.20052 |
| Rwork | 0.198 |
| R-free | 0.24214 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.236 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.350 | 2.500 |
| High resolution limit [Å] | 2.440 | 2.440 |
| Rmerge | 0.080 | 0.680 |
| Number of reflections | 25521 | |
| <I/σ(I)> | 23.3 | 3.3 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 15.2 | 10.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1 MM HEPES PH 7.5 19 % PEG 400 |
