1R43
Crystal structure of beta-alanine synthase from Saccharomyces kluyveri (selenomethionine substituted protein)
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-10-03 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9793, 0.9794, 0.9393 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.430, 77.630, 110.570 |
| Unit cell angles | 90.00, 95.63, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 2.800 |
| R-factor | 0.21388 |
| Rwork | 0.211 |
| R-free | 0.28100 * |
| Structure solution method | MAD |
| RMSD bond length | 0.009 * |
| RMSD bond angle | 1.200 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.119 * | 0.490 * |
| Number of reflections | 25306 | |
| <I/σ(I)> | 15.5 | 3.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.8 * | 3.8 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 20 * | trisodium citrate, dioxane, DTT, 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 | 1.0 (M) | |
| 6 | 1 | reservoir | MES | 0.1 (M) | pH6.5 |
| 7 | 1 | reservoir | dioxane | 5 (%(v/v)) |
