4ZBI

Mcl-1 complexed with small molecules

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.07816
Spacegroup name	P 1 21 1
Unit cell lengths	62.256, 134.015, 135.931
Unit cell angles	90.00, 99.65, 90.00

Refinement procedure

Resolution	29.966 - 2.500
R-factor	0.1833
Rwork	0.182
R-free	0.23950
RMSD bond length	0.010
RMSD bond angle	1.411
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (dev_1951)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.060	0.330
Number of reflections	68726
<I/σ(I)>	17.3	2.3
Completeness [%]	90.7	82.4
Redundancy	2.7	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION			PEG3350, magnesium chloride, Bis-Tris