6Q5Q

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	80
Detector technology	CCD
Collection date	2010-05-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	I 2 2 2
Unit cell lengths	28.570, 29.350, 55.722
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.500 - 1.080
R-factor	0.13531
Rwork	0.135
R-free	0.14659
Structure solution method	AB INITIO PHASING
RMSD bond length	0.021
RMSD bond angle	2.222
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	ACORN
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.470	1.140
High resolution limit [Å]	1.080	1.080
Rmerge	0.074	0.706
Rmeas	0.077	0.737
Rpim	0.021
Number of reflections	10348	1461
<I/σ(I)>	17.5	56.2
Completeness [%]	99.7	94.7
Redundancy	12.8	12.2
CC(1/2)	0.999	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2M potassium/sodium tartrate tetrahydrate 20% w/v PEG 3350.