2RBR
2-phenoxyethanol 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 | 60.135, 60.135, 96.307 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.060 - 1.433 |
| R-factor | 0.181 |
| Rwork | 0.180 |
| R-free | 0.20000 |
| Starting model (for MR) | 1lgu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.122 |
| 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] | 52.060 | 50.000 | 1.480 |
| High resolution limit [Å] | 1.433 | 3.080 | 1.433 |
| Rmerge | 0.076 | 0.065 | 0.376 |
| Number of reflections | 37457 | ||
| <I/σ(I)> | 15.8 | ||
| Completeness [%] | 99.9 | 99.6 | 100 |
| Redundancy | 5.5 | 6 | 5.2 |
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 |
