3I00

Crystal Structure of the huntingtin interacting protein 1 coiled coil domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Detector technology	CCD
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	35.801, 57.092, 81.161
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.590 - 2.300
R-factor	0.23709
Rwork	0.235
R-free	0.28038
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.361
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]	40.590	50.000	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.033	0.018	0.176
Number of reflections	7765
<I/σ(I)>	32.784
Completeness [%]	99.2	98.6	96.8
Redundancy	3.9	3.6	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sitting drop vapor diffusion	6.5	298	50mM MES pH 6.5, 17.5% PEG 6000, sitting drop vapor diffusion, temperature 298K