4OLC
Carbamate kinase from Giardia lamblia thiocarbamoylated by disulfiram on Cys242
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-08 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0332 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.297, 98.178, 102.674 |
Unit cell angles | 90.00, 107.57, 90.00 |
Refinement procedure
Resolution | 49.000 - 2.600 |
Rwork | 0.206 |
R-free | 0.27400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jz7 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.200 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.000 | 2.710 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.082 | 0.314 |
Number of reflections | 40662 | |
<I/σ(I)> | 10.8 | 3.8 |
Completeness [%] | 99.1 | 99.7 |
Redundancy | 3.4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 295 | 0.4 M ammonium citrate dibasic, 21% PEG3350, crystal soaked in 2 mM disulfiram overnight, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |