6VA9
Crystal structure of glucose-6-phosphate dehydrogenase R393H mutant in complex with catalytic NADP+
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 | PIXEL |
Collection date | 2019-07-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 157.435, 157.435, 113.022 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.600 - 3.950 |
R-factor | 0.1927 |
Rwork | 0.191 |
R-free | 0.22020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6e08 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.600 | 47.600 | 4.190 |
High resolution limit [Å] | 3.950 | 11.530 | 3.950 |
Rmerge | 0.060 | 1.944 | |
Rmeas | 0.063 | 2.021 | |
Number of reflections | 12952 | 585 | 2035 |
<I/σ(I)> | 7.39 | 24.2 | 1.59 |
Completeness [%] | 99.8 | 97.8 | 99.5 |
Redundancy | 12.9 | 9.638 | 13.423 |
CC(1/2) | 0.995 | 0.999 | 0.702 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | MES, magnesium chloride, PEG3350, NADP |