1EX8
CRYSTAL STRUCTURE OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE COMPLEXED WITH HP4A, THE TWO-SUBSTRATE-MIMICKING INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-11-30 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.053, 61.857, 67.106 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.850 |
| R-factor | 0.185 * |
| Rwork | 0.203 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1EQO |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.021 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.154 | 0.338 |
| Number of reflections | 12732 | |
| <I/σ(I)> | 5.9 | 2.056 |
| Completeness [%] | 89.5 | 77.6 |
| Redundancy | 3.1 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 293 * | drop consists of equal amounts of protein and reservoir solutions * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | HP4A | 35 (mM) | |
| 3 | 1 | drop | 50 (mM) | ||
| 4 | 1 | drop | Tris-HCl | 10 (M) | |
| 5 | 1 | reservoir | PEG4000 | 28 (%(w/v)) | |
| 6 | 1 | reservoir | ammonium acetate | 0.18 (M) | |
| 7 | 1 | reservoir | sodium acetate | 0.15 (M) | |
| 8 | 1 | reservoir | glycerol | 10 (%(v/v)) |
