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 (%) |
