5HQW
Crystal structure of a trans-AT PKS dehydratase domain of C0ZGQ6 from Brevibacillus brevis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SACLA BEAMLINE BL3 |
| Synchrotron site | SACLA |
| Beamline | BL3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.010, 63.280, 124.140 |
| Unit cell angles | 90.00, 91.91, 90.00 |
Refinement procedure
| Resolution | 62.035 - 2.390 |
| R-factor | 0.2118 |
| Rwork | 0.210 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kg9 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.634 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10pre_2131: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.035 | 2.530 |
| High resolution limit [Å] | 2.390 | 2.390 |
| Rmerge | 0.110 | 1.040 |
| Number of reflections | 24881 | |
| <I/σ(I)> | 9.3 | 1.66 |
| Completeness [%] | 97.9 | 97.6 |
| Redundancy | 3.4 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 10% w/v PEG 20 000, 20% v/v PEG MME 550, 0.03 M MgCl and CaCl2, 0.05 M Bicine pH 8.5, Tris/HCl pH 8.5 |
