9IYU

ChCODH2 A559W_V610H mutant in 24hour 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	112.638, 76.281, 72.084
Unit cell angles	90.00, 112.36, 90.00

Refinement procedure

Resolution	35.080 - 2.000
R-factor	0.1875
Rwork	0.186
R-free	0.22180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1su7
RMSD bond length	0.011
RMSD bond angle	1.192
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	2.120
High resolution limit [Å]	2.000	5.940	2.000
Rmerge	0.033	0.026	0.237
Rmeas	0.044	0.035	0.323
Number of reflections	38166	567	3047
<I/σ(I)>	8.55
Completeness [%]	99.0
Redundancy	3.12
CC(1/2)	0.998	0.998	0.900

Crystallization Conditions

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