4Y1T

Structural basis for Ca2+-mediated interaction of the perforin C2 domain with lipid membranes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.953697
Spacegroup name	I 2 2 2
Unit cell lengths	45.009, 59.828, 125.919
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.383 - 2.666
R-factor	0.1709
Rwork	0.168
R-free	0.21530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nsj
RMSD bond length	0.002
RMSD bond angle	0.648
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.388	2.810
High resolution limit [Å]	2.666	2.666
Rmerge	0.071	0.182
Number of reflections	5115
<I/σ(I)>	21.25
Completeness [%]	99.7
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M HEPES sodium pH 7.5, 0.2 M calcium chloride dihydrate and 14% v/v polyethylene glycol 400