4FM3

Crystal structure of a DUF4398 family protein (PA2901) from Pseudomonas aeruginosa PAO1 at 2.47 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	2012-05-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97922,0.91162,0.97901
Spacegroup name	C 1 2 1
Unit cell lengths	110.690, 48.740, 89.930
Unit cell angles	90.00, 109.84, 90.00

Refinement procedure

Resolution	44.141 - 2.470
R-factor	0.2035
Rwork	0.202
R-free	0.23560
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	XDS
Data scaling software	XSCALE (December 29, 2011)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.141		2.560
High resolution limit [Å]	2.470	5.290	2.470
Rmerge	0.091	0.060	0.517
Number of reflections	16044	1672	1444
<I/σ(I)>	7.64	13.7	2.1
Completeness [%]	97.2	95.2	86

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2M lithium sulfate, 40.0% polyethylene glycol 400, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K