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 |