5FLG
Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis in complex with AMPPNP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-11 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.590, 77.900, 166.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.530 - 2.040 |
| R-factor | 0.20329 |
| Rwork | 0.202 |
| R-free | 0.23205 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.309 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.330 | 2.090 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.060 | 0.550 |
| Number of reflections | 41543 | |
| <I/σ(I)> | 17.3 | 2.7 |
| Completeness [%] | 99.2 | 92.2 |
| Redundancy | 6.4 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1 MM HEPES PH 7.5 19 % PEG 400 |
