5FCG

Crystal structure of Bcl-2 in complex with HBx-BH3 motif

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9789
Spacegroup name	P 21 21 2
Unit cell lengths	63.777, 82.990, 33.487
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.781 - 2.100
R-factor	0.2562
Rwork	0.255
R-free	0.27550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xa0
RMSD bond length	0.021
RMSD bond angle	2.037
Data scaling software	HKL-2000
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.168	0.475
Number of reflections	10943
<I/σ(I)>	17.4	4.9
Completeness [%]	99.9	100
Redundancy	6.7	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	277	100mM sodium acetate, 500mM ammonium sulfate