2RAY
beta-chlorophenetole in complex with T4 lysozyme L99A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2006-11-26 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 60.462, 60.462, 96.004 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 52.340 - 1.798 |
R-factor | 0.188 |
Rwork | 0.187 |
R-free | 0.21200 |
Starting model (for MR) | 184l |
RMSD bond length | 0.014 |
RMSD bond angle | 1.249 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC (5.2) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.340 | 1.840 |
High resolution limit [Å] | 1.798 | 1.798 |
Number of reflections | 19434 | |
Completeness [%] | 99.7 | 98.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop | 7.1 | 277 | 2.2M sodium-potassium phosphate, 0.05M beta-mercaptoethanol, 0.05M 2-hydroxyethyldisulfide, pH 7.1, hanging drop, temperature 277K |