4CW5
Crystal structure of the enoyl reductase domain of DfnA from Bacillus amyloliquefaciens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-28 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.850, 94.000, 144.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.000 - 2.300 |
| R-factor | 0.2053 |
| Rwork | 0.204 |
| R-free | 0.23090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2z6i |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.840 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.000 | 2.380 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.080 | 1.230 |
| Number of reflections | 49619 | |
| <I/σ(I)> | 18.3 | 1.68 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 6.6 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 15 % PEG3350, 0.1 M SODIUM MALONATE, BIS TRIS PH 6.0 |
