5TZP

Crystal structure of FPV039:Bik BH3 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 43
Unit cell lengths	47.848, 47.848, 74.303
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.229 - 1.350
R-factor	0.1479
Rwork	0.147
R-free	0.17160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	FPV039
RMSD bond length	0.024
RMSD bond angle	1.831
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.850	1.370
High resolution limit [Å]	1.350	1.350
Rmerge	0.070	1.600
Number of reflections	36707
<I/σ(I)>	24.1	1.7
Completeness [%]	100.0	100
Redundancy	14.5	13.6
CC(1/2)	1.000	0.598

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.8	293	0.2M Lithium Chloride, 20% w/v PEG 3350