3ZLR

Crystal structure of BCL-XL in complex with inhibitor (WEHI-539)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-10-25
Detector	RIGAKU RAXIS-IV
Spacegroup name	P 43 2 2
Unit cell lengths	56.241, 56.241, 211.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.001 - 2.026
R-factor	0.1606
Rwork	0.158
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ZK6 CHAIN A
RMSD bond length	0.007
RMSD bond angle	1.196
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.680	2.100
High resolution limit [Å]	2.030	2.030
Rmerge	0.120	0.500
Number of reflections	22506
<I/σ(I)>	21.98	4.28
Completeness [%]	97.2	86.6
Redundancy	86.57	10.78

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5		1.6 M (NH4)2 SO4, 100 MM MES PH 5.5