7SEI
Glucose-6-phosphate 1-dehydrogenase (K403Q)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-1 |
Synchrotron site | SSRL |
Beamline | BL12-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-26 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 157.730, 157.730, 113.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.430 - 3.650 |
R-factor | 0.1935 |
Rwork | 0.191 |
R-free | 0.23520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6va8 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.733 |
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] | 39.430 | 39.430 | 3.740 |
High resolution limit [Å] | 3.650 | 16.320 | 3.650 |
Rmerge | 0.213 | 0.039 | 2.745 |
Rmeas | 0.217 | 0.040 | 2.796 |
Total number of observations | 438256 | ||
Number of reflections | 16483 | 209 | 1214 |
<I/σ(I)> | 15.3 | 76.32 | 1.65 |
Completeness [%] | 99.9 | 91.7 | 100 |
Redundancy | 26.588 | 21.115 | 27.375 |
CC(1/2) | 0.999 | 1.000 | 0.632 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 295 | PEG8K |