2RBO
2-nitrothiophene in complex with T4 lysozyme L99A/M102Q
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2006-12-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979462 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 60.107, 60.107, 96.715 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.060 - 1.290 |
| R-factor | 0.17433 |
| Rwork | 0.173 |
| R-free | 0.19319 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lgu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.216 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.060 | 1.340 |
| High resolution limit [Å] | 1.290 | 1.290 |
| Rmerge | 0.067 | 0.622 |
| Number of reflections | 51583 | |
| <I/σ(I)> | 11.8 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.6 | 7.6 |
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 |
