2RB0
2,6-difluorobenzylbromide complex with T4 lysozyme L99A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-11-16 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 60.287, 60.287, 96.861 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.200 - 1.840 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.23300 |
| Starting model (for MR) | 184l |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.986 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.200 | 1.910 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.077 | 0.389 |
| Number of reflections | 14638 | |
| <I/σ(I)> | 16.3 | |
| Completeness [%] | 80.0 | 67.4 |
| Redundancy | 3.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 277 | 2.2M sodium-potassium phosphate, 0.05M beta-mercaptoethanol, 0.05M 2-hydroxyethyldisulfide, pH 7.1, vapor diffusion, hanging drop, temperature 277K |
