3B6X
Complex of S52A Substituted Drosophila LUSH protein with Butanol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-08-15 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 43 |
Unit cell lengths | 46.872, 46.872, 111.327 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.110 - 2.000 |
R-factor | 0.169 |
Rwork | 0.163 |
R-free | 0.22400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ooh |
RMSD bond length | 0.008 |
RMSD bond angle | 1.048 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.050 | 0.194 |
Number of reflections | 15795 | |
<I/σ(I)> | 8.2 | 2.3 |
Completeness [%] | 98.0 | 99.6 |
Redundancy | 7.02 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 295 | 25% PEG 400, 100mM Sodium Acetate, 3:1 protein/well ratio, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature Room tempK, temperature 295K |