8RGW

Serial synchrotron in plate room temperature structure of Dye Type Peroxidase Aa, 12 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	72.428, 67.728, 74.673
Unit cell angles	90.00, 105.69, 90.00

Refinement procedure

Resolution	69.730 - 1.880
R-factor	0.2126
Rwork	0.212
R-free	0.24190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.661
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]	69.730	1.947
High resolution limit [Å]	1.880	1.880
Number of reflections	56729	5631
<I/σ(I)>	19.7
Completeness [%]	99.7
Redundancy	48
CC(1/2)	0.958	0.302

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)