6VA8
Crystal structure of glucose-6-phosphate dehydrogenase F381L 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 | 158.620, 158.620, 113.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.960 - 3.950 |
R-factor | 0.2068 |
Rwork | 0.206 |
R-free | 0.22380 |
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] | 47.960 | 47.960 | 4.190 |
High resolution limit [Å] | 3.950 | 11.550 | 3.950 |
Rmerge | 0.041 | 1.591 | |
Rmeas | 0.044 | 1.671 | |
Number of reflections | 13187 | 590 | 2068 |
<I/σ(I)> | 8.31 | 32.44 | 1.55 |
Completeness [%] | 99.6 | 97 | 99.2 |
Redundancy | 10.16 | 8.434 | 10.808 |
CC(1/2) | 0.995 | 0.999 | 0.601 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | MES, magnesium chloride, PEG3350, NADP |