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 |