8QOU
Reactive intermediate deaminase A mutant - R107K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-07 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.873 |
Spacegroup name | P 21 3 |
Unit cell lengths | 90.482, 90.482, 90.482 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.500 - 1.400 |
R-factor | 0.15042 |
Rwork | 0.149 |
R-free | 0.17033 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.503 |
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] | 45.240 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 48575 | 2408 |
<I/σ(I)> | 17.4 | 4.7 |
Completeness [%] | 99.7 | |
Redundancy | 1.9 | |
CC(1/2) | 0.939 | 0.588 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.2 M Ammonium sulfate, 0.1 M Sodium cacodylate trihydrate, pH 6.5, 30% w/v polyethylene glycol 8000 |