8RGY

Serial synchrotron in plate room temperature structure of Dye Type Peroxidase Aa, 8 drops merged

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE VMXi
Synchrotron site	Diamond
Beamline	VMXi
Temperature [K]	298
Detector technology	PIXEL
Collection date	2023-10-04
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	0.775
Spacegroup name	P 1 21 1
Unit cell lengths	72.456, 67.759, 74.707
Unit cell angles	90.00, 105.69, 90.00

Refinement procedure

Resolution	69.760 - 2.070
R-factor	0.2259
Rwork	0.223
R-free	0.27480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.618
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.760	2.144
High resolution limit [Å]	2.070	2.070
Number of reflections	42538	4203
<I/σ(I)>	12.6
Completeness [%]	97.7
Redundancy	28.7
CC(1/2)	0.927	0.329

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7	291	1:3 v/v ratio of 10 mg/ml protein in 20 mM sodium phosphate, 150 mM NaCl, pH 7.0 and a mother liquor solution (12% v/v PEG 3350, 100 mM HEPES, pH 7.0)