5HU7
Crystal structure of the trans-AT PKS dehydratase domain of C0ZGQ4 from Brevibacillus brevis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 160.610, 83.010, 48.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.440 - 2.400 |
| R-factor | 0.2257 |
| Rwork | 0.224 |
| R-free | 0.26430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kg9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.130 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.440 | 2.470 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.042 | 0.079 |
| Number of reflections | 26210 | |
| <I/σ(I)> | 19.3 | 2.2 |
| Completeness [%] | 99.5 | 99.5 |
| Redundancy | 5.8 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M MgCl2, Hepes pH 7.5, 25% PEG2000MME |
