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 |
