6VA7
Crystal structure of glucose-6-phosphate dehydrogenase P396L 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 | 2019-04-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 157.354, 157.354, 113.616 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.760 - 3.070 |
R-factor | 0.2036 |
Rwork | 0.203 |
R-free | 0.22470 |
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] | 49.760 | 49.760 | 3.260 |
High resolution limit [Å] | 3.070 | 9.080 | 3.070 |
Rmerge | 0.114 | 0.021 | 1.596 |
Rmeas | 0.119 | 0.022 | 1.658 |
Total number of observations | 359866 | ||
Number of reflections | 27090 | 1171 | 4260 |
<I/σ(I)> | 21.94 | 95.2 | 1.61 |
Completeness [%] | 99.8 | 98.8 | 99.3 |
Redundancy | 13.284 | 11.61 | 13.637 |
CC(1/2) | 0.999 | 1.000 | 0.647 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | MES, magnesium chloride, PEG3350, NADP |