6ODH

BH3 domain swapped dimer of a BAK fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-12-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 1
Unit cell lengths	45.043, 55.039, 55.682
Unit cell angles	117.13, 107.97, 97.55

Refinement procedure

Resolution	32.518 - 2.300
R-factor	0.217
Rwork	0.214
R-free	0.27060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u2v
RMSD bond length	0.003
RMSD bond angle	0.693
Data reduction software	XDS
Data scaling software	Aimless (0.6.2)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.950	46.950	2.380
High resolution limit [Å]	2.300	8.910	2.300
Rmerge	0.032	0.026	0.198
Rmeas	0.038	0.031	0.234
Rpim	0.020	0.016	0.124
Number of reflections	18506	318	1825
<I/σ(I)>	13.5
Completeness [%]	97.1	96.4	97.4
Redundancy	3.5	3.6	3.5
CC(1/2)	0.999	0.998	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	12% PEG 3350 and 100 mM ammonium sulfate