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. |