9IYT

ChCODH2 A559W_V610H mutant in 8hour 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	111.950, 75.997, 71.351
Unit cell angles	90.00, 111.65, 90.00

Refinement procedure

Resolution	33.130 - 2.000
R-factor	0.1687
Rwork	0.166
R-free	0.21040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1su7
RMSD bond length	0.010
RMSD bond angle	1.114
Data reduction software	HKL-2000
Data scaling software	HKL-2000
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	2.030
High resolution limit [Å]	1.990	5.430	2.000
Rmerge	0.089	0.054	0.628
Rmeas	0.097	0.058	0.682
Rpim	0.038	0.022	0.263
Number of reflections	37835	1943	1844
<I/σ(I)>	8.5
Completeness [%]	99.9	98.8	99.9
Redundancy	6.5	7.2	6.5
CC(1/2)	0.994	0.997	0.850

Crystallization Conditions

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