5FLL
Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW) from Bacillus subtilis in complex with a Pimeloyl-adenylate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-09-02 |
| Detector | RIGAKU CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.117, 78.105, 165.818 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.350 - 2.340 |
| R-factor | 0.20098 |
| Rwork | 0.199 |
| R-free | 0.23417 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.315 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmerge | 0.090 | 0.420 |
| Number of reflections | 28257 | |
| <I/σ(I)> | 21.4 | 2.9 |
| Completeness [%] | 99.5 | 94.2 |
| Redundancy | 4.2 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 19% PEG 400 0.1 M HEPES PH 7.5 |
