6O6F

Co-crystal structure of Mcl1 with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-05
Detector	MAR CCD 130 mm
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	43.315, 84.935, 90.736
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.090 - 1.600
R-factor	0.22
Rwork	0.220
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.610
High resolution limit [Å]	1.550	1.550
Number of reflections	49711	4868
<I/σ(I)>	10.2
Completeness [%]	99.6
Redundancy	4.68

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	100 mM Tris pH 8.0, 3% Methanol, 30-42.5% PEG6000