1R3N
Crystal structure of beta-alanine synthase from Saccharomyces kluyveri
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-12-10 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 117.230, 77.120, 225.520 |
| Unit cell angles | 90.00, 95.05, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 2.700 |
| R-factor | 0.21118 |
| Rwork | 0.208 |
| R-free | 0.26600 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | model of seleno-methionine substituted beta-alanine synthase from the same source |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.200 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.083 | 0.261 |
| Number of reflections | 106190 | |
| <I/σ(I)> | 14.8 | 3.7 |
| Completeness [%] | 95.9 | 82.2 |
| Redundancy | 3.5 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 20 * | trisodium citrate, dioxane, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 4.0-4.5 (mg/ml) | |
| 2 | 1 | drop | Tris | 50 (mM) | pH7.5 |
| 3 | 1 | drop | dithiothreitol | 1 (mM) | |
| 4 | 1 | drop | 100 (mM) | ||
| 5 | 1 | reservoir | trisodium citrate | 0.88 (M) | |
| 6 | 1 | reservoir | sodium citrate | 0.1 (M) | pH6.0 |
| 7 | 1 | reservoir | dioxane | 5 (%(v/v)) |
