3PK1

Crystal structure of Mcl-1 in complex with the BaxBH3 domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-26
Detector	ADSC QUANTUM 210
Wavelength(s)	0.95364
Spacegroup name	C 1 2 1
Unit cell lengths	97.923, 81.469, 57.927
Unit cell angles	90.00, 124.23, 90.00

Refinement procedure

Resolution	20.136 - 2.486
R-factor	0.2135
Rwork	0.212
R-free	0.24470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nl9
RMSD bond length	0.008
RMSD bond angle	1.101
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.486	5.380	2.500
Rmerge	0.105	0.036	0.641
Number of reflections	13065
<I/σ(I)>	17.13	41.47	2.35
Completeness [%]	98.6	97.7	94.1
Redundancy	5.8	5.8	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	1M Sodium Acetate, 0.1M Hepes, 25mM Cadmium Sulfate, 5mM TCEP, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K