1HKA
6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 95 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-08-20 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9686, 0.9788, 0.9792, 0.9870 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.320, 51.980, 41.490 |
| Unit cell angles | 90.00, 110.12, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.500 |
| R-factor | 0.174 * |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.024 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.050 | 0.340 |
| Total number of observations | 132018 * | |
| Number of reflections | 23352 | |
| <I/σ(I)> | 21.4 | 3.06 |
| Completeness [%] | 95.8 | 89.9 |
| Redundancy | 5.65 | 3.81 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.5 | pH 8.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | reservoir | PEG4000 | 30 (%) | |
| 3 | 1 | reservoir | Tris-HCl | 0.2 (M) |
