7XDP
Tunnel-redesigned O2-tolerant CO dehydrogenase for removal of CO in real flue gas (ChCODH2 A559S 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 | 111.934, 74.969, 71.323 |
Unit cell angles | 90.00, 111.29, 90.00 |
Refinement procedure
Resolution | 33.230 - 1.840 |
R-factor | 0.1506 |
Rwork | 0.148 |
R-free | 0.19300 |
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 | 1.870 |
High resolution limit [Å] | 1.840 | 4.990 | 1.840 |
Rmerge | 0.103 | 0.060 | 0.538 |
Rmeas | 0.112 | 0.065 | 0.581 |
Rpim | 0.043 | 0.024 | 0.219 |
Total number of observations | 325933 | ||
Number of reflections | 47693 | 2461 | 2391 |
<I/σ(I)> | 5.4 | ||
Completeness [%] | 99.9 | 99.7 | 100 |
Redundancy | 6.8 | 7.4 | 7 |
CC(1/2) | 0.997 | 0.896 |
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 |