6QFQ

Structure of human Mcl-1 in complex with indole acid inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9763
Spacegroup name	P 41 21 2
Unit cell lengths	48.064, 48.064, 148.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.730 - 1.600
R-factor	0.2161
Rwork	0.214
R-free	0.25480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nl9
RMSD bond length	0.027
RMSD bond angle	2.271
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	3.450	1.660
High resolution limit [Å]	1.600	2.740	1.600
Rmerge	0.078	0.077
Total number of observations	199340
Number of reflections	43693	4412	4360
<I/σ(I)>	10.2
Completeness [%]	99.0	99.2	98.8
Redundancy	4.6	4.7	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	0.1M BisTRIS buffer pH 6.5, 20% PEGMME5K