4UYS

X-ray structure of the N-terminal domain of the flocculin Flo11 from Saccharomyces cerevisiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-08-03
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 2
Unit cell lengths	52.720, 101.550, 33.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.510 - 1.050
R-factor	0.1471
Rwork	0.147
R-free	0.16968
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.593
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX (AUTOMR)
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.500	1.110
High resolution limit [Å]	1.050	1.050
Rmerge	0.060	0.620
Number of reflections	85769
<I/σ(I)>	11.4	2.5
Completeness [%]	100.0	99.9
Redundancy	5.8	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		PROTEIN WAS CRYSTALLIZED FROM 100 MM NAHEPES, PH 7.5, 100 MM MGCL2, 30% PEG 400, THEN SOAKED IN THIS CONDITION CONTAINING 50 MM CACL2 ADDITIONALLY FOR 5 MIN; FOR CRYOPROTECTION THE PROTEIN WAS SOAKED IN THE LATTER CONDITION CONTAINING 35% PEG 400 INSTEAD OF 30%.