6MBC

Human Bfl-1 in complex with the designed peptide dF4

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	43.466, 42.905, 46.666
Unit cell angles	90.00, 114.21, 90.00

Refinement procedure

Resolution	42.563 - 1.752
R-factor	0.186
Rwork	0.183
R-free	0.21210
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	1.780
High resolution limit [Å]	1.750	4.750	1.750
Rmerge	0.068	0.061	0.339
Rmeas	0.078	0.069	0.430
Rpim	0.036	0.031	0.259
Number of reflections	15078	821	565
<I/σ(I)>	7.1
Completeness [%]	94.8	97.7	70.7
Redundancy	4.1	4.5	1.9
CC(1/2)		0.996	0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	1.8 - 2.0 M NH4SO4, 50 mM MES pH 6.5