3DN8
Iodopentafluorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant (seleno version)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-03-25 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.542 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 60.031, 60.031, 95.956 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 21.890 - 1.700 |
R-factor | 0.19773 |
Rwork | 0.196 |
R-free | 0.22297 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dmv |
RMSD bond length | 0.007 |
RMSD bond angle | 0.945 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 22609 | |
Completeness [%] | 99.6 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 277 | 2.0-2.2 M K/Na phosphate, pH 6.9, 5mM BME and 5mM oxidized BME. Complexes were prepared by soaking or vapor diffusion methods, VAPOR DIFFUSION, HANGING DROP, temperature 277K |