5UUK

Human Bfl-1 in complex with a Bfl-1-specific selected peptide

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	CCD
Collection date	2016-06-23
Detector	ADSC QUANTUM 315
Wavelength(s)	.97920
Spacegroup name	P 1 21 1
Unit cell lengths	43.249, 43.326, 45.744
Unit cell angles	90.00, 110.90, 90.00

Refinement procedure

Resolution	42.735 - 1.199
R-factor	0.1443
Rwork	0.143
R-free	0.16290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zeq
RMSD bond length	0.008
RMSD bond angle	0.902
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.220
High resolution limit [Å]	1.199	3.260	1.200
Rmerge	0.072	0.059	0.483
Rmeas	0.075	0.062	0.524
Rpim	0.022	0.019	0.196
Number of reflections	47346
<I/σ(I)>	8.5
Completeness [%]	95.4	98.6	88.5
Redundancy	10.2	10.6	5.5
CC(1/2)		0.997	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	1.8 M ammonium sulfate, 0.1 M MES pH 7.0