3COG
Crystal structure of human cystathionase (Cystathionine gamma lyase) in complex with DL-propargylglycine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 105.350, 107.220, 153.310 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.910 - 2.000 |
| R-factor | 0.16061 |
| Rwork | 0.158 |
| R-free | 0.20406 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nmp |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.374 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.3.0040) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.123 | 0.469 |
| Number of reflections | 109200 | |
| <I/σ(I)> | 13.81 | 3.2 |
| Completeness [%] | 92.9 | 98.9 |
| Redundancy | 6.7 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 293 | 0.2M Di-ammonium hydrogen citrate, 20% PEG 3350. Streak seeding used, apo crystal soaked with inhibitor, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
