2RBS
(r)(+)-3-chloro-1-phenyl-1-propanol in complex with T4 lysozyme L99A/M102Q
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2007-05-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.115872 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 60.368, 60.368, 96.895 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.270 - 1.557 |
| R-factor | 0.184 |
| Rwork | 0.183 |
| R-free | 0.20500 |
| Starting model (for MR) | 1lgu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.127 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 52.270 | 50.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 3.340 | 1.550 |
| Rmerge | 0.106 | 0.088 | 0.361 |
| Number of reflections | 29769 | ||
| <I/σ(I)> | 11.5 | ||
| Completeness [%] | 99.9 | 99.5 | 100 |
| Redundancy | 6.3 | 6.5 | 5.9 |
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 |
