2V8G
Crystal structure of beta-alanine synthase from Saccharomyces kluyveri in complex with the product beta-alanine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-13 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.100, 217.300, 81.600 |
| Unit cell angles | 90.00, 91.90, 90.00 |
Refinement procedure
| Resolution | 19.840 - 2.500 |
| R-factor | 0.191 |
| Rwork | 0.189 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r43 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.174 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.160 | 0.350 |
| Number of reflections | 59732 | |
| <I/σ(I)> | 7.4 | 5.29 |
| Completeness [%] | 99.6 | 99.8 |
| Redundancy | 4.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.75 | PEG 6000, TRIS PH 8.5, BICINE PH 9.0, LICL. |
