7M3W
Crystal Structure of enoyl-CoA hydratase EchA15 protein from Mycolicibacterium paratuberculosis
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 | 2011-03-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9774 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 131.600, 131.600, 107.810 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.640 - 2.900 |
R-factor | 0.1827 |
Rwork | 0.178 |
R-free | 0.23350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qk8 as per Morda |
RMSD bond length | 0.005 |
RMSD bond angle | 0.703 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | PHENIX (1.19) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.980 |
High resolution limit [Å] | 2.900 | 12.970 | 2.900 |
Rmerge | 0.074 | 0.015 | 0.577 |
Rmeas | 0.078 | 0.016 | 0.608 |
Number of reflections | 21541 | 286 | 1559 |
<I/σ(I)> | 27.02 | 80.87 | 4.04 |
Completeness [%] | 99.7 | 93.2 | 99.9 |
Redundancy | 10.339 | 8.759 | 10.67 |
CC(1/2) | 0.999 | 1.000 | 0.867 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 287 | Rigaku Reagents JCSG+ screen, optimized condition B4: 10% (w/V) PEG 8000, 8% (V/V) ethylene glycol, 100mM HEPES pH 7.5: MypaA.00829.b.A1.PS00774 at 52.8 mg/ml: tray 220508a7: cryo: 25% EG: puck ebk5-13. |