3UC2

Crystal structure of a DUF4426 family protein (PA0388) from Pseudomonas aeruginosa PAO1 at 2.09 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	2011-07-21
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97916,0.97886
Spacegroup name	P 21 21 21
Unit cell lengths	44.453, 45.436, 294.498
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.083 - 2.090
R-factor	0.2122
Rwork	0.211
R-free	0.23400
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.110
Data reduction software	XDS
Data scaling software	XSCALE (December 6, 2010)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.083	49.080	2.160
High resolution limit [Å]	2.090	4.490	2.090
Rmerge	0.048	0.024	0.619
Number of reflections	36206	3788	3377
<I/σ(I)>	16.61	45	2.2
Completeness [%]	98.6	94.5	99.8
Redundancy	4		3.99

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	277	0.17M (NH4)2SO4, 15.0% Glycerol, 25.5% PEG-4000, No Buffer pH 4.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K