5FKB

Structure of D80A-fructofuranosidase from Xanthophyllomyces dendrorhous complexed with 1-Kestose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-01-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 2
Unit cell lengths	74.526, 205.019, 145.988
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	118.920 - 1.780
R-factor	0.17109
Rwork	0.170
R-free	0.18414
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ann
RMSD bond length	0.007
RMSD bond angle	1.402
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	118.920	1.810
High resolution limit [Å]	1.780	1.780
Rmerge	0.060	0.530
Number of reflections	213888
<I/σ(I)>	19.5	3.3
Completeness [%]	99.9	99.8
Redundancy	6.7	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		PROTEIN WAS CRYSTALLIZED FROM 1.2M SODIUM CITRATE TRIBASIC DIHYDRATE, 0.1M TRIS-HCL PH 8.5, THEN SOAKED IN 30MM 1-KESTOSE