1QKI
X-RAY STRUCTURE OF HUMAN GLUCOSE 6-PHOSPHATE DEHYDROGENASE (VARIANT CANTON R459L) COMPLEXED WITH STRUCTURAL NADP+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1997-02-15 |
Detector | MARRESEARCH |
Wavelength(s) | 0.870, 1.488 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 128.900, 208.700, 214.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 3.000 |
R-factor | 0.247 |
Rwork | 0.247 |
R-free | 0.29400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dpg |
RMSD bond length | 0.008 |
RMSD bond angle | 22.140 * |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | X-PLOR (3.851) |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 3.200 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.111 | 0.565 * |
Total number of observations | 647973 * | |
Number of reflections | 98864 | |
<I/σ(I)> | 5.2 | 1.4 |
Completeness [%] | 85.3 | 72 * |
Redundancy | 2.2 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | used microseeding, Au, S.W.N., (1999) Acta Crystallogr.,Sect.D, 55, 826. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | NADP+ | 0.100 (mM) | |
2 | 1 | drop | protein | 10 (mg/ml) | |
3 | 1 | reservoir | sodium citrate | 0.1 (M) | |
4 | 1 | reservoir | glycolic acid | 0.05 (M) | pH5.8 |
5 | 1 | reservoir | PEG3350 | 10-15 (%) |