6SB4

Crystal structure of murine perforin-2 P2 domain crystal form 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 1
Unit cell lengths	70.230, 70.050, 128.140
Unit cell angles	78.50, 79.05, 85.01

Refinement procedure

Resolution	56.090 - 3.170
R-factor	0.1906
Rwork	0.189
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.763
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (dev_3488)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.090	3.280
High resolution limit [Å]	3.170	3.170
Number of reflections	37940	2362
<I/σ(I)>	10.41
Completeness [%]	95.3
Redundancy	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M MES pH6.0 10% PEG6000, 40mM potassium sodium tartrate