8QOP
Capra hircus reactive intermediate deaminase A - K78A
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 | 88.610, 88.610, 88.610 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.175 - 1.400 |
R-factor | 0.1625 |
Rwork | 0.161 |
R-free | 0.18830 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.912 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MoRDa |
Refinement software | PHENIX ((1.15.2_3472: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.690 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.135 | |
Rmeas | 0.138 | |
Number of reflections | 45862 | 2267 |
<I/σ(I)> | 14.1 | |
Completeness [%] | 100.0 | |
Redundancy | 1 | |
CC(1/2) | 0.999 | 0.700 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 M Sodium sulfate, 0.1 M Bis-Tris propane 8.5, 20 % w/v PEG 3350 |