9I4Q

SSX structure of dye-type peroxidase DtpB from Streptomyces lividans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	293
Detector technology	PIXEL
Collection date	2023-05-17
Detector	DECTRIS EIGER2 X CdTe 9M
Wavelength(s)	0.6200
Spacegroup name	P 21 21 21
Unit cell lengths	86.400, 121.373, 199.295
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.397 - 2.750
Rwork	0.191
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.119
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	103.660	2.800
High resolution limit [Å]	2.750	2.750
Number of reflections	55276	2716
<I/σ(I)>	5.1
Completeness [%]	100.0
Redundancy	22.2
CC(1/2)	0.916	0.297

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		291	6-10 mg/ml of protein in 50 mm sodium acetate, 150 mm NaCl pH 5 mixed with 150 mM MgCl2, 150 mm HEPES, 20 % PEG 4000, pH 7.5, batch mode.