4XRW
Crystal structure of the di-domain ARO/CYC BexL from the BE-7585A biosynthetic pathway
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-31 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.0246 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 63.680, 63.680, 170.371 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.009 - 1.790 |
| R-factor | 0.1826 |
| Rwork | 0.180 |
| R-free | 0.21930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xrt |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.326 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.010 | 1.850 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.059 | 0.386 |
| Number of reflections | 34205 | |
| <I/σ(I)> | 20.1 | 4.1 |
| Completeness [%] | 99.7 | 99.2 |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1 M MES, pH 7.0, 15% PEG20000 |
