9IYV

ChCODH2 WT in 2hour air exposure condition

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-14
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	111.941, 76.028, 71.124
Unit cell angles	90.00, 111.42, 90.00

Refinement procedure

Resolution	34.150 - 2.500
R-factor	0.1962
Rwork	0.193
R-free	0.26490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1su7
RMSD bond length	0.008
RMSD bond angle	0.944
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.650
High resolution limit [Å]	2.500	7.380	2.500
Rmerge	0.038	0.023	0.334
Rmeas	0.042	0.025	0.364
Number of reflections	19232	773	3063
<I/σ(I)>	26.41
Completeness [%]	98.7
Redundancy	6.08
CC(1/2)	0.999	0.999	0.965

Crystallization Conditions

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