8QOV
Capra hircus reactive intermediate deaminase A mutant - I126Y
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-31 |
Detector | DECTRIS EIGER R 4M |
Wavelength(s) | 0.968 |
Spacegroup name | P 21 3 |
Unit cell lengths | 88.746, 88.746, 88.746 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.260 - 1.600 |
R-factor | 0.19082 |
Rwork | 0.190 |
R-free | 0.21621 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.681 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MoRDa |
Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.690 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.069 | |
Rmeas | 0.070 | |
Number of reflections | 31014 | 1523 |
<I/σ(I)> | 31.2 | |
Completeness [%] | 100.0 | |
Redundancy | 41.3 | |
CC(1/2) | 1.000 | 0.789 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.02 M MgCl hexahydrate, 0.1 M HEPES, 22% w/v poly(acrylic acid sodium salt)5100 |