3HU8
2-ethoxyphenol 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] | 296 |
| Detector technology | CCD |
| Collection date | 2008-07-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.11589 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 60.140, 60.140, 96.160 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.700 - 1.800 |
| R-factor | 0.182 |
| Rwork | 0.181 |
| R-free | 0.21300 |
| Structure solution method | REFMAC |
| Starting model (for MR) | 1lgu |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.273 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.930 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.089 | 0.425 |
| Number of reflections | 19222 | 3565 |
| <I/σ(I)> | 17.37 | 4.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 8.71 | 9.02 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 2.2M sodium-potassium phosphate, 0.05M beta-mercaptoethanol, 0.05M 2-hydroxyethyldisulfide, pH 6.5, vapor diffusion, hanging drop, temperature 277K |
