2NL9

Crystal structure of the Mcl-1:Bim BH3 complex

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-11-08
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791, 0.9792, 0.9715
Spacegroup name	I 2 2 2
Unit cell lengths	52.380, 70.080, 117.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.120 - 1.550
R-factor	0.174
Rwork	0.173
R-free	0.20300
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.386
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.067	0.503
Number of reflections	29809
<I/σ(I)>	160.5
Completeness [%]	85.1	28.2
Redundancy	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.75	298	0.2M zinc acetate, 0.2M imidazole, 2mM TCEP, pH 5.75, VAPOR DIFFUSION, HANGING DROP, temperature 298K