1EQM
CRYSTAL STRUCTURE OF BINARY COMPLEX OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE WITH ADENOSINE-5'-DIPHOSPHATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-07-23 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 79.140, 52.800, 36.640 |
| Unit cell angles | 90.00, 103.43, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.500 |
| R-factor | 0.1905 |
| Rwork | 0.189 |
| R-free | 0.26250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hka |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.022 |
| 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] | 20.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.084 | 0.589 |
| Total number of observations | 83381 * | |
| Number of reflections | 23029 | |
| <I/σ(I)> | 18.6 | 1.97 |
| Completeness [%] | 97.7 | 85.4 |
| Redundancy | 3.6 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 18-20 * | PEG 4000, Tris-HCl, acetate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 4 (mg/ml) | |
| 2 | 1 | drop | MgATP | 5 (mM) | |
| 3 | 1 | drop | Tris | 10 (mM) | |
| 4 | 1 | reservoir | PEG4000 | 30 (%) | |
| 5 | 1 | reservoir | 0.2 (M) | ||
| 6 | 1 | reservoir | Tris | 0.2 (M) |
