6C2Z
Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the PLP-Aminoacrylate 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 | 81.465, 81.465, 209.486 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.370 |
| R-factor | 0.1355 |
| Rwork | 0.134 |
| R-free | 0.16310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jbq |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.585 |
| 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 | 1.390 |
| High resolution limit [Å] | 1.370 | 3.720 | 1.370 |
| Rmerge | 0.104 | 0.060 | |
| Rmeas | 0.107 | 0.061 | |
| Rpim | 0.025 | 0.015 | 0.352 |
| Total number of observations | 1732784 | ||
| Number of reflections | 86357 | 4535 | 4211 |
| <I/σ(I)> | 7.1 | ||
| Completeness [%] | 99.6 | 94.5 | 99.5 |
| Redundancy | 20.1 | 18 | 12.6 |
| CC(1/2) | 0.997 | 0.860 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 30% PEG400, 100 mM calcium acetate, 100 mM Tris, pH 6.5 |
