4F98

Crystal structure of a DUF2790 family protein (PA3229) from Pseudomonas aeruginosa PAO1 at 1.26 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-02
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97906,0.97884
Spacegroup name	P 21 21 2
Unit cell lengths	38.541, 58.728, 24.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.541 - 1.260
R-factor	0.145
Rwork	0.144
R-free	0.16910
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.565
Data reduction software	XDS
Data scaling software	XSCALE (December 29, 2011)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.541		1.310
High resolution limit [Å]	1.260	2.710	1.260
Rmerge	0.055	0.025	0.737
Number of reflections	15636	1664	1693
<I/σ(I)>	13.66	38.2	2
Completeness [%]	99.3	96.7	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20.0% Glycerol 24.0% polyethylene glycol 1500, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K