1GKP
D-Hydantoinase (Dihydropyrimidinase) from Thermus sp. in space group C2221
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-08-24 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 126.200, 215.900, 207.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.300 * |
| R-factor | 0.15352 |
| Rwork | 0.153 |
| R-free | 0.18400 * |
| Structure solution method | MAD |
| RMSD bond length | 0.022 * |
| RMSD bond angle | 2.000 * |
| Data reduction software | DENZO (FOR INDEXING) |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.330 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.031 | 0.425 |
| Total number of observations | 2976914 * | |
| Number of reflections | 693388 | |
| <I/σ(I)> | 17.7 | 2.4 |
| Completeness [%] | 99.7 | 98 |
| Redundancy | 4.3 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.5 | 1.65 MM AMMONIUM SULPHATE, 100 MM HEPES/NAOH PH 7.5, 5% (V/V) PEG 400, CRYO-BUFFER: 2 M LITHIUM SULPHATE, 100 MM HEPES/NAOH PH 7.5, 5% (V/V) PEG 400 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 1.65 (M) | |
| 2 | 1 | reservoir | PEG400 | 5 (%) | |
| 3 | 1 | reservoir | HEPES-NaOH | 100 (mM) | pH7.5 |
| 4 | 1 | drop | protein | 4.5 (mg/ml) | |
| 5 | 1 | drop | Se-Met-protein | 10 (mg/ml) |
