2AF6
Crystal structure of Mycobacterium tuberculosis Flavin dependent thymidylate synthase (Mtb ThyX) in the presence of co-factor FAD and substrate analog 5-Bromo-2'-Deoxyuridine-5'-Monophosphate (BrdUMP)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-06-23 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.090, 78.300, 168.720 |
| Unit cell angles | 90.00, 96.80, 90.00 |
Refinement procedure
| Resolution | 44.950 - 2.010 |
| R-factor | 0.1978 |
| Rwork | 0.195 |
| R-free | 0.24292 |
| Structure solution method | SAD in combination with Molecular Replacement |
| Starting model (for MR) | 1o26 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.293 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.950 | 2.070 |
| High resolution limit [Å] | 2.013 | 2.000 |
| Number of reflections | 132869 | |
| <I/σ(I)> | 11.4 | 3.1 |
| Completeness [%] | 96.1 | 89 |
| Redundancy | 3.4 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | 100mM Sodium acetate, 200mM potassium iodide, 2mM DTT and PEG3350, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
