4OOC
Dehydratase domain of the polyketide PpsC from Mycobacterium tuberculosis
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97914, 0.97930 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 89.506, 89.506, 159.276 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.380 - 2.700 |
R-factor | 0.2099 |
Rwork | 0.208 |
R-free | 0.25062 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.715 |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.381 | 2.770 | |
High resolution limit [Å] | 2.620 | 7.710 | 2.620 |
Rmerge | 0.069 | 0.021 | 0.958 |
Number of reflections | 19876 | ||
<I/σ(I)> | 15.52 | 52.05 | 1.29 |
Completeness [%] | 97.9 | 95.7 | 88.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 293 | 1.8 M sodium/potassium phosphate pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
2 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 16% PEG8000, 20% glycerol, 0.04 M potassium phosphate monobasic, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |