3DNC

Carboxysome shell protein, CcmK2 C-terminal deletion mutant, with a closer spacing between hexamers

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-D
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-10-09
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 6
Unit cell lengths	67.362, 67.362, 29.034
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	58.320 - 2.050
R-factor	0.224
Rwork	0.222
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2a1b
RMSD bond length	0.007
RMSD bond angle	1.022
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	80.000	80.000	2.120
High resolution limit [Å]	2.050	4.420	2.050
Rmerge	0.152	0.122	0.456
Number of reflections	4371
<I/σ(I)>	7.8
Completeness [%]	89.2	58.7	99.8
Redundancy	7.1	5.9	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	298	0.1M CHES, 1.26M ammonium sulfate, 0.15M NaCl, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K