5LT5

Carboxysome shell protein CcmP from Synechococcus elongatus PCC 7942

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-03-02
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97239
Spacegroup name	P 21 3
Unit cell lengths	107.154, 107.154, 107.154
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.920 - 1.450
R-factor	0.166
Rwork	0.165
R-free	0.18360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ht5
RMSD bond length	0.010
RMSD bond angle	1.050
Data reduction software	XDS (November 11, 2013)
Data scaling software	Aimless (0.1.29)
Phasing software	PHASER (2.5.2)
Refinement software	BUSTER-TNT (1.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.920	47.920	1.470
High resolution limit [Å]	1.450	7.940	1.450
Rmerge	0.058	0.028	0.893
Number of reflections	72625
<I/σ(I)>	21.7
Completeness [%]	100.0	99.7	100
Redundancy	9.9	9.5	9.6
CC(1/2)	1.000	1.000	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20 mM BIS-tris propane, 50 mM NaCl, 10 mM glycerol, 0.2 M Li sulphate, 0.1 mM Tris-HCl pH 7.5 and 5% w/v PEG 4000, 50 mM RuBP