3PJD
Structure of ENR G93A 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 | 80.826, 80.826, 328.404 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.490 - 2.500 |
R-factor | 0.21 |
Rwork | 0.210 |
R-free | 0.23400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1c14 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.200 |
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 | 0.242 | 0.383 |
Number of reflections | 22600 | |
<I/σ(I)> | 1.4 | |
Completeness [%] | 97.9 | 97.9 |
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 |