5XT2

Crystal structures of full-length FixJ from B. japonicum crystallized in space group P212121

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-04
Detector	RAYONIX MX225-HS
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	76.722, 137.910, 142.276
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.512 - 2.652
R-factor	0.2083
Rwork	0.206
R-free	0.24850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.345
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.700
High resolution limit [Å]	2.650	2.650
Rmerge	0.061	1.127
Rpim	0.012	0.266
Number of reflections	47221	2050
<I/σ(I)>	60.3	2
Completeness [%]	99.6	95.1
Redundancy	28.2	17.4
CC(1/2)		0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	pentaerythritol ethoxylate, magnesium formate, glycerol, Tris-HCL