2PKN
Crystal structure of M tuberculosis Adenosine Kinase complexed with AMP-PCP (non-hydrolyzable ATP analog)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | OTHER |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 2006-11-15 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5412 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 95.050, 75.184, 52.380 |
Unit cell angles | 90.00, 109.80, 90.00 |
Refinement procedure
Resolution | 57.540 - 1.900 |
R-factor | 0.2095 |
Rwork | 0.207 |
R-free | 0.25781 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | apo MTB ADK |
RMSD bond length | 0.010 |
RMSD bond angle | 1.275 |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 57.540 |
High resolution limit [Å] | 1.900 |
Rmerge | 0.050 |
Number of reflections | 25991 |
Completeness [%] | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | 20% PEG 8000, 100 mM sodium cacodylate pH 6.5, and 200 mM magnesium acetate tetrahydrate , VAPOR DIFFUSION, HANGING DROP, temperature 290K |