3R3K

Crystal structure of a parallel 6-helix coiled coil

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	200
Detector technology	CCD
Collection date	2010-05-17
Detector	ADSC QUANTUM 315
Wavelength(s)	1.7
Spacegroup name	I 2 2 2
Unit cell lengths	31.660, 54.480, 128.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.210 - 2.201
R-factor	0.2153
Rwork	0.212
R-free	0.27150
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.285
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELXS
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.140	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.109	0.339
Number of reflections	5716
<I/σ(I)>	9.3	2.2
Completeness [%]	95.6	72.1
Redundancy	5.7	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	20 mM sodium L-glutamate, 20 mM alanine (racemic), 20 mM glycine, 20 mM lysine hydrochloride (racemic), 20 mM serine (racemic), 50 mM sodium HEPES, 50 mM MOPS (acid) pH 7.5, 20 % ethylene glycol,10 % PEG 8K, VAPOR DIFFUSION, SITTING DROP, temperature 291K