7W5E

Oxidase ChaP D49L 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	2021-07-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	40.760, 62.070, 92.020
Unit cell angles	90.00, 91.80, 90.00

Refinement procedure

Resolution	29.410 - 1.650
R-factor	0.2055
Rwork	0.204
R-free	0.23810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a4z
RMSD bond length	0.007
RMSD bond angle	1.550
Data reduction software	AUTOMAR
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.410	1.620
High resolution limit [Å]	1.590	1.590
Rmerge		0.481
Number of reflections	57729	2790
<I/σ(I)>	8
Completeness [%]	94.5
Redundancy	3.2
CC(1/2)	0.995	0.716

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.01M Zinc sulfate heptahydrate, 0.1M MES monohydrate pH6.5, 25% v/v PEG monomethyl ether 550