3SO6

Crystal structure of the LDL receptor tail in complex with autosomal recessive hypercholesterolemia PTB domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-04
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97945
Spacegroup name	P 21 21 21
Unit cell lengths	29.097, 59.095, 77.083
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.560 - 1.370
R-factor	0.1542
Rwork	0.151
R-free	0.20580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.023
RMSD bond angle	2.050
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	23.563	24.725	1.440
High resolution limit [Å]	1.370	4.330	1.370
Rmerge		0.045	0.360
Total number of observations		4069	18820
Number of reflections	27539
<I/σ(I)>	13.7	13.1	2
Completeness [%]	96.5	87.7	98.9
Redundancy	4.8	4.7	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.1 M HEPES, 30% PEG6000, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K