4E72

Crystal structure of a DUF3298 family protein (PA4972) from Pseudomonas aeruginosa PAO1 at 2.15 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-02-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9796,0.9184
Spacegroup name	C 1 2 1
Unit cell lengths	102.840, 51.890, 40.860
Unit cell angles	90.00, 98.25, 90.00

Refinement procedure

Resolution	46.229 - 2.150
R-factor	0.1732
Rwork	0.171
R-free	0.21000
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.020
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]	46.229	46.230	2.230
High resolution limit [Å]	2.150	4.610	2.150
Rmerge	0.084	0.059	0.439
Number of reflections	11243	1183	1078
<I/σ(I)>	8.81	17.9	2.43
Completeness [%]	96.0	95.9	90.9
Redundancy	3.47		3.12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	10.0% Glycerol, 1.26M tri-Sodium Citrate, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K