6JPT

Crystal structure of human PAC3 homodimer (trigonal form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	95
Detector technology	PIXEL
Collection date	2018-10-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.90000
Spacegroup name	P 31 2 1
Unit cell lengths	71.229, 71.229, 47.074
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.655 - 0.960
R-factor	0.1362
Rwork	0.136
R-free	0.14580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2z5e
RMSD bond length	0.008
RMSD bond angle	1.051
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.070	0.980
High resolution limit [Å]	0.960	0.960
Rmerge	0.052	1.162
Rmeas	0.056	1.303
Rpim	0.021	0.579
Number of reflections	83927	4048
<I/σ(I)>	17.1	1.3
Completeness [%]	99.9	98
Redundancy	6.4	4.8
CC(1/2)	0.998	0.606

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	30% PEG2000 monomethyl ether, 0.1 M potassium thiocyanate