6Q5M

Crystal structure of a CC-Hex mutant that forms an antiparallel four-helix coiled coil CC-Hex*-L24Dab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	80
Detector technology	CCD
Collection date	2013-07-09
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9783
Spacegroup name	P 61 2 2
Unit cell lengths	71.380, 71.380, 35.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.720 - 1.500
R-factor	0.19413
Rwork	0.192
R-free	0.22386
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.820
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER (7.0.06)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.720	35.690	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.048	0.015	1.173
Rmeas	0.061	0.018	1.331
Rpim	0.036	0.009	0.619
Number of reflections	8775	66	433
<I/σ(I)>	12	43.1	1.1
Completeness [%]	98.9	89.3	100
Redundancy	4.4	3.9	4.4
CC(1/2)	1.000	1.000	0.703

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	297	0.8 M Na/K hydrogen phosphate