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 |
