6QGH

Structure of human Bcl-2 in complex with ABT-263

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-08-29
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	44.419, 55.110, 64.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.1787
Rwork	0.177
R-free	0.20570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qgg
RMSD bond length	0.012
RMSD bond angle	1.469
Data reduction software	CrystalClear
Data scaling software	d*TREK (9.4SSI)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.900	27.900	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.103	0.047	0.471
Rmeas	0.103
Total number of observations	59783
Number of reflections	12847	1396	1171
<I/σ(I)>	8.1	20.5	2.8
Completeness [%]	98.0	97.8	90.8
Redundancy	4.62	4.53	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	284	0.2 M NaCl, 25% PEG3350 and 0.1 M Bis-Tris buffer pH 5.5