8DJT

Cytosolic ascorbate peroxidase from Sorghum bicolor - four ascorbates complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	38.296, 75.097, 82.997
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.550 - 1.160
R-factor	0.1384
Rwork	0.138
R-free	0.15070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oag
Data reduction software	XDS
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.180
High resolution limit [Å]	1.160	3.150	1.160
Rmerge	0.079	0.048	0.496
Rmeas	0.086	0.052	0.547
Rpim	0.034	0.021	0.228
Total number of observations	529415
Number of reflections	83614	4481	4099
<I/σ(I)>	9.1
Completeness [%]	100.0	99.6	100
Redundancy	6.3	6.2	5.7
CC(1/2)		0.998	0.864

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2M Li2SO4, 0.1 M Tris, pH 8.5 and 30 % PEG 4000