6AA2
X-ray structure of ReQy1 (oxidized form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-11-01 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.90000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.571, 120.520, 115.028 |
| Unit cell angles | 90.00, 106.18, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.300 |
| R-factor | 0.18582 |
| Rwork | 0.184 |
| R-free | 0.22859 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1myw |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.932 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.156 | 0.457 |
| Number of reflections | 43945 | |
| <I/σ(I)> | 33.9 | |
| Completeness [%] | 99.0 | 99.9 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 50mM Tris-HCl(pH 7.5), 150mM NaCl, 250mM Trilithium Citrate, 14%(w/v) PEG 3350 |
