3QK8
Crystal structure of enoyl-coA hydratase EchA15 from Mycobacterium marinum in complex with an unknown ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-12-21 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.990, 129.530, 78.610 |
Unit cell angles | 90.00, 108.57, 90.00 |
Refinement procedure
Resolution | 48.883 - 1.600 |
R-factor | 0.138 |
Rwork | 0.137 |
R-free | 0.16400 |
Structure solution method | MR |
Starting model (for MR) | 1wz8 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.633 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.883 | 1.640 | |
High resolution limit [Å] | 1.600 | 7.160 | 1.600 |
Rmerge | 0.045 | 0.013 | 0.314 |
Number of reflections | 181397 | 2105 | 12092 |
<I/σ(I)> | 23.92 | 77.7 | 4 |
Completeness [%] | 98.4 | 98.8 | 88.7 |
Redundancy | 4.5256 | 3.671 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 290 | Internal tracking number 218997A9. JCSG screen condition A9: 20% PEG3350, 0.2 M ammonium chloride. MymaA.00829.b.A1 PS00862 at 43.78mg/ml., pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 290K |