3VBE
Crystal structure of beta-cyanoalanine synthase in soybean
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 | 2010-06-24 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 190.323, 154.580, 70.800 |
| Unit cell angles | 90.00, 101.89, 90.00 |
Refinement procedure
| Resolution | 49.160 - 2.500 |
| R-factor | 0.169 |
| Rwork | 0.167 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.106 |
| Data scaling software | SCALEPACK |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.108 | 0.667 |
| Number of reflections | 68674 | |
| <I/σ(I)> | 11.8 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4.8 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.2 | 279 | 10% (w/v) PEG-8000, 0.1 M Na/K phosphate, 0.2M NaCl, pH 6.2, vapor diffusion, hanging drop, temperature 279K |
