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 |
