6MBB

Human Bfl-1 in complex with the designed peptide dF1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-15
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97910
Spacegroup name	P 1 21 1
Unit cell lengths	43.223, 42.920, 47.718
Unit cell angles	90.00, 115.96, 90.00

Refinement procedure

Resolution	42.904 - 1.590
R-factor	0.1683
Rwork	0.165
R-free	0.19570
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.620
High resolution limit [Å]	1.590	4.320	1.590
Rmerge	0.072	0.056	0.359
Rmeas	0.078	0.061	0.399
Rpim	0.029	0.024	0.169
Number of reflections	19614	1038	696
<I/σ(I)>	7.1
Completeness [%]	91.5	93.1	65.2
Redundancy	6.5	6.9	4.3
CC(1/2)		0.995	0.907

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	1.8 M ammonium sulfate, 0.1 M MES pH 6.5