6O6G

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	2009-09-25
Detector	MAR CCD 165 mm
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	80.610, 46.418, 45.072
Unit cell angles	90.00, 104.10, 90.00

Refinement procedure

Resolution	27.800 - 2.400
R-factor	0.29
Rwork	0.290
R-free	0.29500
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	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	6445	363
<I/σ(I)>	33.9
Completeness [%]	88.5
Redundancy	2.4

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% PEG 6000