3HT6
2-methylphenol 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 | 60.281, 60.281, 98.110 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.590 |
| R-factor | 0.184 |
| Rwork | 0.182 |
| R-free | 0.22000 |
| Structure solution method | REFMAC |
| Starting model (for MR) | 1lgu |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.133 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.460 |
| High resolution limit [Å] | 1.410 | 1.410 |
| Rmerge | 0.081 | 0.496 |
| Number of reflections | 37764 | |
| <I/σ(I)> | 33.152 | 0.0424 |
| Completeness [%] | 92.8 | 41 |
| Redundancy | 7.8 | 2 |
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 |
