6OQB

Co-crystal structure of Mcl1 with inhibitor 10

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	2012-09-06
Detector	MAR CCD 130 mm
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	43.653, 89.980, 84.839
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.990 - 1.600
R-factor	0.1813
Rwork	0.180
R-free	0.21150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.084
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.660
High resolution limit [Å]	1.600	1.600
Number of reflections	22329	2196
<I/σ(I)>	8.7
Completeness [%]	100.0
Redundancy	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	100 mM Tris, pH 8.0 3% Methanol 30%-42.5% PEG6000