21KB
Cystathionine beta-lyase from Klebsiella pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU PhotonJet-S |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-03-14 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.418, 131.209, 84.574 |
| Unit cell angles | 90.00, 100.46, 90.00 |
Refinement procedure
| Resolution | 22.890 - 1.900 |
| R-factor | 0.16822 |
| Rwork | 0.166 |
| R-free | 0.20458 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.962 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.890 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.100 | 0.373 |
| Rmeas | 0.109 | 0.405 |
| Rpim | 0.041 | 0.155 |
| Total number of observations | 919184 | 43236 |
| Number of reflections | 136224 | 6625 |
| <I/σ(I)> | 17.2 | 4.9 |
| Completeness [%] | 98.3 | |
| Redundancy | 6.7 | 6.5 |
| CC(1/2) | 0.998 | 0.941 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 303 | 50 mM TRIS-HCl, pH 8.5, 55% PEG MME 2000, 0.2 mM PLP, 25 mM DTT |
