4UBW
Apo structure of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-01 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9184 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 128.250, 128.250, 114.010 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.290 - 2.700 |
R-factor | 0.17508 |
Rwork | 0.171 |
R-free | 0.24808 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ubv |
RMSD bond length | 0.012 |
RMSD bond angle | 1.695 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.020 | 2.850 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.143 | |
Number of reflections | 25129 | |
<I/σ(I)> | 11.8 | 2.2 |
Completeness [%] | 94.4 | 88.6 |
Redundancy | 7.6 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 293 | 0.1 M Mes pH 6.1, 5% DMSO, 1.8 M (NH4)2SO4 |