2GQ2
Mycobacterium tuberculosis ThyX-NADP complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-09-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.007, 78.090, 88.514 |
| Unit cell angles | 90.00, 95.67, 90.00 |
Refinement procedure
| Resolution | 35.200 - 2.100 |
| R-factor | 0.21404 |
| Rwork | 0.212 |
| R-free | 0.25464 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2af6 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.399 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 64080 | |
| <I/σ(I)> | 10 | 3.3 |
| Completeness [%] | 97.0 | 99.7 |
| Redundancy | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | 100mM sodium acetate, 200mM pottasium iodide, 2mM DTT and 13-15% PEG3350, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
