8SNI
Hydroxynitrile Lyase from Hevea brasiliensis with Forty Mutations
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.527, 81.884, 90.929 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.850 - 1.990 |
| R-factor | 0.2002 |
| Rwork | 0.199 |
| R-free | 0.22730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.933 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.850 | 2.040 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.066 | 0.967 |
| Rmeas | 0.086 | 1.244 |
| Rpim | 0.054 | 0.774 |
| Number of reflections | 39196 | 2786 |
| <I/σ(I)> | 10.5 | 1.3 |
| Completeness [%] | 98.7 | 99.5 |
| Redundancy | 3.7 | 3.8 |
| CC(1/2) | 0.997 | 0.698 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.1 M HEPES, pH 7.5, 0.2 M L-Proline, 10 % w/v Polyethylene glycol 3,350 |
