6C2H
Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the Catalytic Core
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 | 81.374, 81.374, 208.440 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.490 |
| R-factor | 0.128 |
| Rwork | 0.126 |
| R-free | 0.16250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jbq |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.593 |
| 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 | 1.520 |
| High resolution limit [Å] | 1.490 | 4.040 | 1.490 |
| Rmerge | 0.104 | 0.050 | 0.880 |
| Rmeas | 0.109 | 0.053 | 0.930 |
| Rpim | 0.033 | 0.017 | 0.296 |
| Total number of observations | 706797 | ||
| Number of reflections | 66342 | 3247 | 3272 |
| <I/σ(I)> | 6.2 | ||
| Completeness [%] | 99.0 | 86.8 | 100 |
| Redundancy | 10.7 | 9.9 | 9.4 |
| CC(1/2) | 0.997 | 0.886 |
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 |
