4AQ3

HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-17
Detector	ADSC QUANTUM 315
Spacegroup name	P 32
Unit cell lengths	115.214, 115.214, 102.318
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	100.000 - 2.400
R-factor	0.203
Rwork	0.201
R-free	0.24494
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	INTERNAL STRUCTURE
RMSD bond length	0.013
RMSD bond angle	1.884
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.080	0.580
Number of reflections	58071
<I/σ(I)>	14.2	1.8
Completeness [%]	97.8	88.7
Redundancy	3.4	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1