4MI2
Crystal structure of putative Enoyl-CoA hydratase/isomerase from Mycobacterium abscessus
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 | 2012-08-01 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97625, 0.9774 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 94.920, 94.920, 195.370 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.510 - 2.300 |
R-factor | 0.181 |
Rwork | 0.179 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.098 |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 2.360 | |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.109 | 0.465 |
Number of reflections | 40335 | |
<I/σ(I)> | 15.31 | 4.2 |
Completeness [%] | 99.5 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | EBS INTERNAL TRACKING NUMBER 500 MM NACL, 2 MM DTT, 0.025% SODIUM AZIDE, 5% GLYCEROL, 0.4 UL X 0.4 UL DROP WITH MORPHEUS SCREEN CONDITION E12: 0.12 M DI -ETHYLENEGLYCOL; TRI-ETHYLENEGLYCOL, TETRA-ETHYLENEGLYCOL AND PENTA-ETHYLENEGLYCOL, 0.1 M BUFFER SYSTEM 3 (TRIS BASE, BICINE, PH 8.5), 37.5% MPD/PEG 1000/ PEG 3350, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 289K |