6SDU

Xyloglucanase domain of NopAA, a type three effector from Sinorhizobium fredii in complex with cellobiose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-18
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.873
Spacegroup name	C 1 2 1
Unit cell lengths	135.408, 108.319, 84.706
Unit cell angles	90.00, 113.11, 90.00

Refinement procedure

Resolution	44.470 - 2.200
R-factor	0.1824
Rwork	0.181
R-free	0.21450
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.470	44.470	2.340
High resolution limit [Å]	2.190	6.150	2.190
Rmerge	0.142	0.049	0.953
Rmeas	0.163	0.056	1.095
Total number of observations	241563
Number of reflections	57796	2681	10425
<I/σ(I)>	7.59	23.59	1.33
Completeness [%]	99.7	99.1	99.8
Redundancy	4.18	4.2	4.141
CC(1/2)	0.993	0.997	0.471

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	Sodium acetate 20mM pH 4.5, 4M Sodium formate, 0.1M Tris pH 8.5