8DJS

Cytosolic ascorbate peroxidase from Sorghum bicolor - one ascorbate complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-22
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9774
Spacegroup name	P 21 21 21
Unit cell lengths	38.152, 74.730, 82.954
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.480 - 1.190
R-factor	0.1469
Rwork	0.147
R-free	0.15560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oag
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHENIX
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.480	41.480	1.210
High resolution limit [Å]	1.190	6.520	1.190
Rmerge	0.075	0.042	0.521
Rmeas	0.082	0.046	0.737
Rpim	0.033	0.018	0.521
Total number of observations	418318	3346	1627
Number of reflections	72524	557	1387
<I/σ(I)>	13	38.1	1
Completeness [%]	94.5	99.6	38.1
Redundancy	5.8	6	1.2
CC(1/2)	0.998	0.998	0.614

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