6C2Q
Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the PLP-L-Serine Intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97929 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 81.107, 81.107, 208.519 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.170 |
| R-factor | 0.1613 |
| Rwork | 0.159 |
| R-free | 0.20250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jbq |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.389 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.210 |
| High resolution limit [Å] | 2.170 | 5.890 | 2.170 |
| Rmerge | 0.063 | 0.027 | 0.277 |
| Rmeas | 0.066 | 0.029 | 0.292 |
| Rpim | 0.019 | 0.009 | 0.093 |
| Total number of observations | 252461 | ||
| Number of reflections | 22476 | 1302 | 1079 |
| <I/σ(I)> | 12.4 | ||
| Completeness [%] | 100.0 | 99.4 | 100 |
| Redundancy | 11.2 | 9.7 | 9.5 |
| CC(1/2) | 0.999 | 0.987 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 30% PEG400, 100 mM calcium acetate, 100 mM Tris, pH 8.0 |
