5VKC

Crystal structure of MCL-1 in complex with a BIM competitive inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 32
Unit cell lengths	63.920, 63.920, 91.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.810 - 2.310
R-factor	0.202
Rwork	0.201
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	500.000	500.000	2.380
High resolution limit [Å]	2.300	4.960	2.300
Rmerge	0.118	0.080	0.462
Total number of observations	89320
Number of reflections	18293
<I/σ(I)>	11.3
Completeness [%]	99.5	99.6	97.1
Redundancy	4.9	5.8	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.8	277	7%(w/v) PEG 8000, 0.1M Tris-HCl, pH 8.8, 0.2M zinc acetate