6VAQ
Crystal structure of glucose-6-phosphate dehydrogenase V394L 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 | 2019-07-07 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 158.973, 158.973, 113.186 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.740 - 2.950 |
R-factor | 0.2099 |
Rwork | 0.209 |
R-free | 0.22230 |
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] | 39.740 | 39.740 | 3.130 |
High resolution limit [Å] | 2.950 | 8.730 | 2.950 |
Rmerge | 0.108 | 0.042 | 1.102 |
Rmeas | 0.113 | 0.044 | 1.145 |
Total number of observations | 406400 | ||
Number of reflections | 30866 | 1330 | 4813 |
<I/σ(I)> | 19.29 | 52.58 | 2.11 |
Completeness [%] | 99.7 | 99.1 | 98.4 |
Redundancy | 13.167 | 11.232 | 13.59 |
CC(1/2) | 0.999 | 0.999 | 0.814 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | MES, magnesium chloride, PEG3350, NADP |