3PJE
Structure of ENR G93S mutant-NAD+-triclosan complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 295 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-01-14 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 80.854, 80.854, 328.404 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.490 - 2.500 |
| R-factor | 0.22 |
| Rwork | 0.220 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1c14 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.285 | 0.404 |
| Number of reflections | 21986 | |
| <I/σ(I)> | 1.6 | |
| Completeness [%] | 95.2 | 95.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1M HEPES, 2M AMMONIUM SULFATE, 5% PEG400, pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
