2P5D
Crystal structure of MJECL36 from Methanocaldococcus jannaschii DSM 2661
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-01-25 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 30.866, 65.088, 71.628 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.250 - 1.700 |
| R-factor | 0.216 |
| Rwork | 0.216 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wmm |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.040 | 0.189 |
| Number of reflections | 16540 | |
| <I/σ(I)> | 15.3 | 6.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.7 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | oil microbatch | 5.5 | 291 | 27.5% PEG 4000, 0.1M Acetate-NaOH, 10% Dioxane, pH 5.5, oil microbatch, temperature 291K |
