1Q3K
Crystal structure of creatinine amidohydrolase (creatininase)
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 | MARRESEARCH |
| Wavelength(s) | 0.8428 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.392, 94.084, 114.746 |
| Unit cell angles | 90.00, 104.62, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 2.100 |
| R-factor | 0.209 |
| Rwork | 0.207 |
| R-free | 0.24700 |
| Structure solution method | MAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.542 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 * | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.039 * | 0.309 * |
| Total number of observations | 223797 * | |
| Number of reflections | 71469 | |
| <I/σ(I)> | 22.5 | 1.8 |
| Completeness [%] | 79.1 | 52.5 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 * | 293 | PEG 8000, ethanol, HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | pH8.0 |
| 3 | 1 | reservoir | MOPS | 0.1 (M) | or 0.1M HEPES, pH7.5 |
| 4 | 1 | reservoir | ethanol | 22 (%(v/v)) | |
| 5 | 1 | reservoir | PEG8000 | 20 (%(w/v)) |
