3R7K
Crystal structure of a probable acyl CoA dehydrogenase from Mycobacterium abscessus ATCC 19977 / DSM 44196
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-07 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 85.250, 121.120, 172.090 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.520 - 2.500 |
R-factor | 0.212 |
Rwork | 0.208 |
R-free | 0.25900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3oib |
RMSD bond length | 0.016 |
RMSD bond angle | 1.588 |
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] | 49.520 | 49.520 | 2.560 |
High resolution limit [Å] | 2.500 | 11.180 | 2.500 |
Rmerge | 0.084 | 0.038 | 0.644 |
Number of reflections | 62349 | 774 | 4550 |
<I/σ(I)> | 10.96 | 21.5 | 2.3 |
Completeness [%] | 99.9 | 96.1 | 100 |
Redundancy | 5.2 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 290 | Internal tracking number 220102B12 JCSG screen condition B12: 20% PEG3350, 0.2 M potassium citrate. MyabA.00247.g.A1 PS 00948 at 39.2 mg/ml, pH 7.0, vapor diffusion, sitting drop, temperature 290K |