2V8H
Crystal structure of mutant E159A of beta-alanine synthase from Saccharomyces kluyveri in complex with its substrate N-carbamyl-beta- alanine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-09-10 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.780, 218.300, 81.580 |
| Unit cell angles | 90.00, 92.19, 90.00 |
Refinement procedure
| Resolution | 19.760 - 2.000 |
| R-factor | 0.18 |
| Rwork | 0.178 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r43 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.096 |
| 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 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.100 | 0.270 |
| Number of reflections | 116114 | |
| <I/σ(I)> | 9.48 | 4.84 |
| Completeness [%] | 99.5 | 99.3 |
| Redundancy | 4.1 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.75 | PEG 6000, TRIS PH 8.5, BICINE PH 9.0, LICL |
