2QNY
Crystal structure of the complex between the A246F mutant of mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and SS-(2-hydroxyethyl) O-decyl ester carbono(dithioperoxoic) acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-08-29 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 67.704, 88.689, 229.903 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.150 |
R-factor | 0.20011 |
Rwork | 0.195 |
R-free | 0.24534 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hzp |
RMSD bond length | 0.007 |
RMSD bond angle | 1.075 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.280 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Number of reflections | 35143 | |
<I/σ(I)> | 10.7 | 4.4 |
Completeness [%] | 92.2 | 69.6 |
Redundancy | 3.17 | 1.91 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 100 mM NA Hepes, 1M K/NA TARTRATE, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |