6JBN

Crystal structure of Sphingomonas sp. A1 peroxidase EfeB responsible for import of iron

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	CCD
Collection date	2018-01-27
Detector	RAYONIX MX225HE
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	100.020, 104.990, 83.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.489 - 2.300
R-factor	0.2371
Rwork	0.234
R-free	0.29750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o72
RMSD bond length	0.008
RMSD bond angle	0.971
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.358
High resolution limit [Å]	2.300	2.300
Rmerge	0.058	0.159
Number of reflections	39361	3588
<I/σ(I)>	14.1
Completeness [%]	98.6
Redundancy	4.2
CC(1/2)		0.202

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	15% PEG 400, 100 mM Sodium acetate (pH 4.6), 100 mM Calcium chloride