4UBV
Structure of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis with an partially acetylated cysteine in complex with acetyl-CoA and CoA
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 | 2011-05-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 124.680, 124.680, 124.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.990 - 1.950 |
| R-factor | 0.19503 |
| Rwork | 0.193 |
| R-free | 0.23074 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1u1q |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.358 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.990 | 1.990 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.133 | |
| Number of reflections | 72009 | |
| <I/σ(I)> | 13.8 | 2.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14.6 | 14.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M Mes pH 6.5, 4% 1,4-dioxane, 1.8 M (NH4)2SO4 |
