7SEH
Glucose-6-phosphate 1-dehydrogenase (K403QdLtL)
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 | 2021-05-31 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.640, 87.860, 160.680 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.990 - 2.900 |
R-factor | 0.2106 |
Rwork | 0.206 |
R-free | 0.30180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6va7 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.489 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.990 | 38.990 | 2.980 |
High resolution limit [Å] | 2.900 | 12.970 | 2.900 |
Rmerge | 0.199 | 0.031 | 2.866 |
Rmeas | 0.208 | 0.033 | 2.978 |
Total number of observations | 314920 | ||
Number of reflections | 24109 | 309 | 1762 |
<I/σ(I)> | 13.71 | 57.77 | 1.51 |
Completeness [%] | 99.9 | 95.7 | 100 |
Redundancy | 13.062 | 10.417 | 13.581 |
CC(1/2) | 0.999 | 0.999 | 0.671 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 295 | 2,2'-disulfanediylbis(N-(2-(1H-indol-3-yl)ethyl)ethan-1-amine), NADP+, MES, PEG4000, MgCl2 |