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 | 0.22310 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.937 |
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 |