8BIW
Cystathionine gamma-lyase N360S mutant in complex with DL-propargylglycine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-10-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 158.028, 158.028, 93.600 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 77.259 - 1.981 |
| R-factor | 0.1762 |
| Rwork | 0.175 |
| R-free | 0.19990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nmp |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.485 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.260 | 2.010 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Number of reflections | 92916 | 4268 |
| <I/σ(I)> | 21.9 | |
| Completeness [%] | 99.4 | |
| Redundancy | 17.4 | |
| CC(1/2) | 0.999 | 0.544 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 12% (w/v) PEG 3350 0.1M sodium citrate pH 4.6, CYMAL-4 |
