9IYL

ChCODH2 WT

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	2024-05-12
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.999994
Spacegroup name	C 1 2 1
Unit cell lengths	111.940, 75.800, 71.650
Unit cell angles	90.00, 111.59, 90.00

Refinement procedure

Resolution	37.900 - 1.280
R-factor	0.1763
Rwork	0.175
R-free	0.19500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1su7
RMSD bond length	0.008
RMSD bond angle	1.088
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	1.360
High resolution limit [Å]	1.280	3.830	1.280
Rmerge	0.034	0.023	0.360
Rmeas	0.049	0.032	0.509
Number of reflections	137315	2086	9520
<I/σ(I)>	7.51
Completeness [%]	96.3
Redundancy	4.67
CC(1/2)	0.998	0.997	0.770

Crystallization Conditions

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