3AF4
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with GMPPCP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-05-22 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 103.400, 103.400, 91.340 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.230 - 2.600 |
R-factor | 0.2012 |
Rwork | 0.199 |
R-free | 0.24774 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gev |
RMSD bond length | 0.005 |
RMSD bond angle | 1.234 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.067 | 0.498 |
Number of reflections | 17745 | |
<I/σ(I)> | 17.8 | 2.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.4 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.4-1.8M trisodium citrate, 0.05-0.1M sodium acetate, 10% glycerol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |