6L1V

Domain-swapped Alcaligenes xylosoxidans azurin dimer

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	2019-02-01
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	107.451, 167.809, 116.988
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.170 - 2.250
R-factor	0.20414
Rwork	0.203
R-free	0.23021
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rkr
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.170	2.320
High resolution limit [Å]	2.250	2.250
Rmerge	0.079	1.145
Number of reflections	50385	4598
<I/σ(I)>	12.3
Completeness [%]	99.9
Redundancy	6.8
CC(1/2)		0.739

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M MES-NaOH, 25% (w/v) PEG 3000