3QEC

Crystal structure of a putative carbohydrate binding protein (PA1324) from Pseudomonas aeruginosa at 2.61 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-23
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.98012,0.97944
Spacegroup name	P 43 3 2
Unit cell lengths	132.787, 132.787, 132.787
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.692 - 2.610
R-factor	0.2106
Rwork	0.210
R-free	0.22560
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.050
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	BUSTER-TNT (BUSTER 2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.692	29.692	2.680
High resolution limit [Å]	2.610	5.540	2.590
Rmerge	0.054	0.027	0.784
Number of reflections	12763	2415	1793
<I/σ(I)>	28.75	65.3	2.8
Completeness [%]	97.6	99	77.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.9	293	15.00% Glycerol, 1.85% polyethylene glycol 400, 2.10M ammonium sulfate, 0.1M HEPES pH 7.9, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 293K