3SB3

Crystal structure of an apag protein (PA1934) from pseudomonas aeruginosa pao1 at 1.83 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	2010-05-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97936,0.97920
Spacegroup name	P 4 21 2
Unit cell lengths	66.080, 66.080, 50.538
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.552 - 1.830
R-factor	0.1888
Rwork	0.187
R-free	0.22270
Structure solution method	MAD
RMSD bond length	0.019
RMSD bond angle	1.666
Data reduction software	XDS
Data scaling software	XSCALE (January 30, 2009)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.552		1.900
High resolution limit [Å]	1.830	3.930	1.830
Rmerge	0.052	0.021	0.790
Number of reflections	10313	1910	1910
<I/σ(I)>	18.07	56.9	1.86
Completeness [%]	99.3	99.4	94.5
Redundancy	7.69

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.2M MgCl2, 30.00% PEG-400, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K