2GP6
X-ray crystal structure of Mycobacterium tuberculosis beta-ketoacyl acyl carrier protein synthase II (mtKasB)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CAMD BEAMLINE GCPCC |
Synchrotron site | CAMD |
Beamline | GCPCC |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2005-03-16 |
Detector | MARRESEARCH |
Wavelength(s) | 1.000 |
Spacegroup name | H 3 |
Unit cell lengths | 198.682, 198.682, 71.831 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.400 |
Rwork | 0.177 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.180 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.480 |
High resolution limit [Å] | 2.390 | 2.390 |
Rmerge | 0.053 | 0.431 |
Number of reflections | 41266 | 3696 |
<I/σ(I)> | 19.2 | |
Completeness [%] | 98.6 | |
Redundancy | 5.6 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 290 | 100 mM CAPS pH 10.5, 20% PEG 8000, 100-150 mM NaCl, FOS-choline, Spermine-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 290.0K |