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 |