24RQ

Crystal structure of Pseudomonas fluorescens peroxidase EfeB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-15
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	136.660, 136.660, 217.375
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.710 - 2.110
R-factor	0.1827
Rwork	0.181
R-free	0.21580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.918
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.710	2.230
High resolution limit [Å]	2.110	2.110
Rmerge	0.085	0.910
Rmeas	0.088	0.936
Number of reflections	135483	21522
<I/σ(I)>	28.72	0.0359
Completeness [%]	99.8
Redundancy	17.29	17.89
CC(1/2)	1.000	0.897

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	30% PEG400, 100 mM Sodium cacodylate trihydrate (pH 6.5), 200 mM Lithium sulfate monohydrate