8Q3H
Capra hircus reactive intermediate deaminase A mutant - A108D
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 | 88.461, 88.461, 88.461 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.270 - 1.570 |
Rwork | 0.142 |
R-free | 0.17860 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.682 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MoRDa |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.270 | 1.670 |
High resolution limit [Å] | 1.570 | 1.570 |
Rmerge | 0.048 | 0.303 |
Rmeas | 0.050 | 0.027 |
Number of reflections | 62170 | 1526 |
<I/σ(I)> | 41.08 | 10.78 |
Completeness [%] | 100.0 | |
Redundancy | 41.2 | |
CC(1/2) | 1.000 | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.1 M SPG, 25% w/v PEG 1500 |