9IYR

ChCODH2 A559W_V610H mutant in 1hour 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	112.034, 76.168, 71.605
Unit cell angles	90.00, 111.56, 90.00

Refinement procedure

Resolution	33.300 - 1.450
R-factor	0.1809
Rwork	0.180
R-free	0.20550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1su7
RMSD bond length	0.009
RMSD bond angle	1.088
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	1.480
High resolution limit [Å]	1.450	3.940	1.450
Rmerge	0.058	0.040	0.687
Rmeas	0.062	0.043	0.748
Rpim	0.024	0.016	0.292
Total number of observations	670056
Number of reflections	97777	4998	4827
<I/σ(I)>	10.1
Completeness [%]	98.7	98.4	97.2
Redundancy	6.9	7.4	6.2
CC(1/2)	0.996	0.997	0.850

Crystallization Conditions

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