6A4Z

Oxidase ChaP

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	2018-01-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97880
Spacegroup name	P 1 21 1
Unit cell lengths	53.830, 47.120, 53.920
Unit cell angles	90.00, 109.60, 90.00

Refinement procedure

Resolution	50.796 - 1.700
R-factor	0.1803
Rwork	0.179
R-free	0.20690
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.800	50.800	1.730
High resolution limit [Å]	1.700	8.990	1.700
Rmerge	0.104	0.076	0.915
Rmeas	0.121	0.089	1.068
Rpim	0.060	0.045	0.538
Total number of observations	104844	709	5002
Number of reflections	27459	198	1373
<I/σ(I)>	8.1	19.3	1.5
Completeness [%]	97.3	96.6	92.4
Redundancy	3.8	3.6	3.6
CC(1/2)	0.993	0.986	0.640

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295.15	MgCl2, Tris-HCl, PEG 4000