7XDN
Tunnel-redesigned O2-tolerant CO dehydrogenase for removal of CO in real flue gas (ChCODH2 A559H mutant in anaerobic condition)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-02-21 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 111.859, 76.026, 71.613 |
Unit cell angles | 90.00, 111.59, 90.00 |
Refinement procedure
Resolution | 35.190 - 1.800 |
R-factor | 0.1661 |
Rwork | 0.164 |
R-free | 0.19970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1su7 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
Rmerge | 0.091 | 0.048 | 0.647 |
Rmeas | 0.099 | 0.052 | 0.700 |
Rpim | 0.038 | 0.019 | 0.267 |
Total number of observations | 352221 | ||
Number of reflections | 51563 | 2639 | 2611 |
<I/σ(I)> | 5.7 | ||
Completeness [%] | 99.9 | 99.4 | 100 |
Redundancy | 6.8 | 7.2 | 6.6 |
CC(1/2) | 0.997 | 0.862 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295.15 | 0.1 M HEPES/NaOH pH 7.5, 200 mM MgCl2, 25% (w/v) polyethylene glycol 3350 |