7WCC

Oxidase ChaP-D49L/Q91C mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	40.800, 48.480, 143.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.880 - 1.500
R-factor	0.1915
Rwork	0.191
R-free	0.21550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a4z
RMSD bond length	0.003
RMSD bond angle	0.589
Data reduction software	MOSFLM
Data scaling software	Aimless (1.19.2_4158)
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.880	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	90164	2256
<I/σ(I)>	8.4
Completeness [%]	99.9
Redundancy	5.9
CC(1/2)	0.990	0.762

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	Magnesium chloride hexahydrate, Calcium chloride dihygrate, Tris(base), BICINE, MPD, PEG 1000, PEG 3350