4OLP

Ligand-free structure of the GrpU microcompartment shell protein from Pectobacterium wasabiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-03-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97920
Spacegroup name	H 3
Unit cell lengths	117.845, 117.845, 76.023
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	60.970 - 2.790
R-factor	0.2178
Rwork	0.215
R-free	0.26710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.602
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.900
High resolution limit [Å]	2.790	6.030	2.790
Rmerge	0.087	0.069	0.602
Number of reflections	9715
<I/σ(I)>	10.2
Completeness [%]	99.5	99	97.5
Redundancy	12.9	15.6	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	296	0.1M sodium/potassium phosphate, 30% 2-methyl-2,4-pentanediol, pH 6.0, vapor diffusion, hanging drop, temperature 296K