1Q5U
HUMAN DUTP PYROPHOSPHATASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 295 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-04-03 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 72.991, 110.666, 52.954 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.000 |
| R-factor | 0.18965 |
| Rwork | 0.188 |
| R-free | 0.27000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dup |
| RMSD bond length | 0.017 * |
| RMSD bond angle | 2.780 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.091 | 0.453 |
| Total number of observations | 101047 * | |
| Number of reflections | 29007 | |
| <I/σ(I)> | 8.3 | 3.2 |
| Completeness [%] | 97.0 * | 99 * |
| Redundancy | 3.5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 295 | 1.1M sodium citrate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | HEPES | 20 (mM) | pH7.5 |
| 3 | 1 | drop | 100 (mM) | ||
| 4 | 1 | reservoir | sodium citrate | 1.0-1.2 (M) | pH8.0 |
| 5 | 1 | reservoir | imidazole/malate | 100 (mM) | pH7.5-8.5 |
