7YCT
HYDROXYNITRILE LYASE FROM THE MILLIPEDE, Oxidus gracilis complexed with (R)-2-Chloromandelonitrile
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 293.15 |
| Detector technology | IMAGE PLATE |
| Collection date | 2017-08-16 |
| Detector | RIGAKU |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 63 |
| Unit cell lengths | 123.790, 123.790, 129.500 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 53.660 - 2.010 |
| Rwork | 0.171 |
| R-free | 0.19960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6kfe |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.692 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.900 | 2.050 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.052 | 0.294 |
| Number of reflections | 74391 | 4580 |
| <I/σ(I)> | 10.4 | |
| Completeness [%] | 99.2 | |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.1 M BIS-TRIS (pH 5.5), 2.0 M ammonium sulfate incubated in 25% (v/v) glycerol with a drop of (R)-2-Chlorobenzaldehyde, and soaked with 2 M potassium cyanide |
