1H1D
Catechol O-Methyltransferase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF NONIUS |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 51.490, 51.490, 168.290 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 21.400 * - 2.000 |
| R-factor | 0.174 |
| Rwork | 0.174 |
| R-free | 0.19800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vid |
| RMSD bond length | 0.008 |
| RMSD bond angle | 22.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.400 * | 2.090 |
| High resolution limit [Å] | 2.000 | 2.020 |
| Rmerge | 0.113 | 0.483 |
| Total number of observations | 131542 * | |
| Number of reflections | 17663 * | |
| <I/σ(I)> | 9.2 | 2.2 |
| Completeness [%] | 98.9 | 95.3 |
| Redundancy | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 5.5 | 293 * | Rodrigues, M.L., (2001) Acta Crystallogr.,Sect.D, D57, 906. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | 0.5 (M) | ||
| 2 | 1 | reservoir | PEG6000 | 8-10 (%) | |
| 3 | 1 | reservoir | MES | 0.1 (M) | pH5.5-6.5 |
