9IYS

ChCODH2 A559W_V610H mutant in 2hour air exposure 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	2023-12-27
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	111.344, 76.511, 71.103
Unit cell angles	90.00, 111.10, 90.00

Refinement procedure

Resolution	33.170 - 1.550
R-factor	0.176
Rwork	0.175
R-free	0.20200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1su7
RMSD bond length	0.008
RMSD bond angle	1.081
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.067	0.651
Number of reflections	78964	3772
<I/σ(I)>	8.7
Completeness [%]	98.1	94.7
Redundancy	6.6	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	PEG3350, Magnesium chloride, Hepes/NaOH