8DJR

Cytosolic ascorbate peroxidase from Sorghum bicolor

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	2022-03-31
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	38.207, 75.068, 83.381
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.690 - 1.460
R-factor	0.1252
Rwork	0.125
R-free	0.14460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oag
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHENIX
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.690	41.680	1.270
High resolution limit [Å]	1.250	6.850	1.250
Rmerge	0.069	0.042	2.189
Rmeas	0.075	0.046	2.419
Rpim	0.030	0.018	1.018
Total number of observations		2883	18554
Number of reflections	43224	494	3305
<I/σ(I)>	14.1	35.1	0.7
Completeness [%]	100.0	99.4	99.9
Redundancy	6.2	5.8	5.6
CC(1/2)	0.998	0.998	0.443

Crystallization Conditions

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