2AG1
Crystal structure of Benzaldehyde lyase (BAL)- SeMet
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, Hamburg |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-03-14 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9793, 0.9801, 0.9393 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 150.165, 150.165, 195.607 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.820 - 2.580 |
| R-factor | 0.21328 |
| Rwork | 0.212 |
| R-free | 0.24496 |
| Structure solution method | MAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.515 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.700 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.095 | |
| Number of reflections | 156247 | |
| <I/σ(I)> | 12.5 | |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | PEG 200, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
