4COZ

Crystal Structure of Epithelial Adhesin 6 A domain (Epa6A) from Candida glabrata in complex with Galb1-3GlcNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-20
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	41.280, 61.260, 106.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.170 - 2.300
R-factor	0.17994
Rwork	0.178
R-free	0.22029
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PRUNED VERSION OF PDB ENTRY 4AF9
RMSD bond length	0.008
RMSD bond angle	1.265
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.120	2.370
High resolution limit [Å]	2.250	2.250
Rmerge	0.170	0.650
Number of reflections	13420
<I/σ(I)>	12.1	3.5
Completeness [%]	99.9	100
Redundancy	9	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.08 M SODIUM ACETATE PH4.6, 1.6 M AMMONIUM SULFATE, 20% GLYCEROL, 0.05 M LACTOSE, 291 K, VAPOR DIFFUSION IN SITTING DROP, SOAKED WITH GALB1-3GLCNAC