8QOS
Capra hircus reactive intermediate deaminase A - V25W
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 1 21 1 |
Unit cell lengths | 53.350, 72.669, 106.772 |
Unit cell angles | 90.00, 100.95, 90.00 |
Refinement procedure
Resolution | 37.420 - 2.010 |
R-factor | 0.2402 |
Rwork | 0.238 |
R-free | 0.28450 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.651 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MoRDa |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.720 | 2.060 |
High resolution limit [Å] | 2.010 | 2.010 |
Rmerge | 0.125 | |
Rmeas | 0.136 | |
Number of reflections | 61313 | 2936 |
<I/σ(I)> | 9.3 | |
Completeness [%] | 98.0 | |
Redundancy | 1.9 | |
CC(1/2) | 0.994 | 0.446 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M Potassium thiocyanate, 30% w/v PEG 2000 MME |