2YXJ

Crystal structure of Bcl-xL in complex with ABT-737

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-07-06
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	66.321, 75.370, 87.778
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.940 - 2.200
R-factor	0.20128
Rwork	0.199
R-free	0.24931
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pq1
RMSD bond length	0.014
RMSD bond angle	1.505
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.106	0.397
Number of reflections	22532
<I/σ(I)>	15.05	4.2
Completeness [%]	97.9	100
Redundancy	3.5	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.85M Sodium Citrate, 0.1M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K