3WWO
S-selective hydroxynitrile lyase from Baliospermum montanum (apo1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-07-22 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.450, 68.529, 162.116 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.600 - 2.550 |
| R-factor | 0.18972 |
| Rwork | 0.187 |
| R-free | 0.23577 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.104 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.600 | 2.590 |
| High resolution limit [Å] | 2.540 | 2.550 |
| Number of reflections | 18347 | |
| Completeness [%] | 99.5 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 30% MPD, 0.1M sodium acetic acid, 0.02M calcium chloride, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
