6C4P
Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the PMP Complex
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 | 80.733, 80.733, 207.923 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.300 |
| R-factor | 0.1731 |
| Rwork | 0.169 |
| R-free | 0.21120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jbq |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.521 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0173) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
| Rmerge | 0.085 | 0.070 | 0.195 |
| Rmeas | 0.091 | 0.076 | 0.208 |
| Rpim | 0.030 | 0.028 | 0.066 |
| Total number of observations | 113960 | ||
| Number of reflections | 17876 | 1799 | 1793 |
| <I/σ(I)> | 17 | ||
| Completeness [%] | 96.0 | 86.2 | 99.2 |
| Redundancy | 6.4 | 6 | 6.4 |
| CC(1/2) | 0.991 | 0.982 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 100 mM Tris, pH 8.0, 30% PEG400, 100 mM calcium acetate |
