8GY8

The structure of Bax1 from Pyrococcus furiosus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	82.250, 110.490, 126.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.590 - 1.940
R-factor	0.1987
Rwork	0.198
R-free	0.21760
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless (0.7.9)
Phasing software	HKL-3000
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.050	50.050	1.990
High resolution limit [Å]	1.940	8.680	1.940
Rmerge	0.059	0.042	1.059
Rmeas	0.064	0.047	1.139
Rpim	0.024	0.020	0.417
Total number of observations	620986	6364	46127
Number of reflections	85680	1078	6250
<I/σ(I)>	20	50.9	2.2
Completeness [%]	100.0	98.8	100
Redundancy	7.2	5.9	7.4
CC(1/2)	0.999	0.995	0.685

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2M Ammonium Sulfate, 0.1M Tris-HCl pH 7.0, 0.2M Lithium Sulfate