8EKX

Structure of MBP-Mcl-1 in complex with MIK665

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979490
Spacegroup name	P 21 21 2
Unit cell lengths	97.362, 136.889, 38.609
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.440 - 1.550
R-factor	0.1872
Rwork	0.186
R-free	0.21390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wms
RMSD bond length	0.008
RMSD bond angle	0.870
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	MOLREP (11.9.02)
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.445	1.577
High resolution limit [Å]	1.550	1.550
Rmerge	0.036	0.602
Number of reflections	75758	3618
<I/σ(I)>	24.7	2.3
Completeness [%]	99.8	98.2
Redundancy	6.4
CC(1/2)	1.000	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	30% (w/v) PEG 3350, 0.1 M magnesium formate