5C3F

Crystal structure of Mcl-1 bound to BID-MM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-05-08
Detector	PSI PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 2
Unit cell lengths	80.830, 37.020, 56.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.539 - 1.430
R-factor	0.1625
Rwork	0.162
R-free	0.17650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nl9
RMSD bond length	0.004
RMSD bond angle	0.680
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.540	1.467
High resolution limit [Å]	1.430	1.430
Rmerge	0.062
Number of reflections	32047
<I/σ(I)>	13.5	2.2
Completeness [%]	99.0	97.8
Redundancy	4.2	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	18% PEG 20000, 0.1 M TRIS pH 8.0