5G1F
Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis in complex with coenzyme A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-10 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.590, 78.360, 166.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.110 - 2.250 |
| R-factor | 0.21895 |
| Rwork | 0.217 |
| R-free | 0.25175 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5flg |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.329 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.890 | 2.370 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.060 | 0.760 |
| Number of reflections | 32279 | |
| <I/σ(I)> | 18.8 | 2 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 6.4 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 19% PEG400, 0.1 M HEPES PH 7.5 |
