4MYR

Crystal structure of a putative CpaE2 pilus assembly protein (CpaE2) from Sinorhizobium meliloti 1021 at 2.72 A resolution (PSI Community Target, Shapiro)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-12-08
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 1
Unit cell lengths	47.013, 48.371, 73.869
Unit cell angles	108.23, 90.03, 97.40

Refinement procedure

Resolution	46.578 - 2.720
R-factor	0.1976
Rwork	0.195
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n0p
RMSD bond length	0.010
RMSD bond angle	1.120
Data reduction software	XDS
Data scaling software	XSCALE (December 6, 2010)
Phasing software	PHASER (2.3.0)
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.578	46.578	2.820
High resolution limit [Å]	2.720	5.820	2.720
Rmerge	0.087	0.044	0.681
Number of reflections	14731	1502	1516
<I/σ(I)>	10.96	24.4	2
Completeness [%]	88.1	89	89.4
Redundancy	3.58		3.62

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	30.00% MPD, 0.1M MES pH 6.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K