5YRT
Diol dehydratase, AdoCbl/substrate-free, anaerobically-prepared crystal
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-07-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 72.687, 95.459, 114.567 |
| Unit cell angles | 80.78, 87.58, 81.10 |
Refinement procedure
| Resolution | 47.000 - 1.700 |
| R-factor | 0.1498 |
| Rwork | 0.149 |
| R-free | 0.18670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1iwb |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.096 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.000 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.058 | 0.648 |
| Rmeas | 0.082 | 0.917 |
| Number of reflections | 313887 | 24404 |
| <I/σ(I)> | 8.33 | 1.06 |
| Completeness [%] | 94.2 | 90.3 |
| Redundancy | 1.8 | 1.8 |
| CC(1/2) | 0.997 | 0.539 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 293 | 10.7% (w/v) PEG 3000, 8.6% (w/v) PEG 2000 MME, 50mM Tris pH 7.6 |
