4WMX

The structure of MBP-MCL1 bound to ligand 6 at 2.0A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-15
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 21 21 2
Unit cell lengths	98.560, 135.870, 37.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.327 - 2.000
R-factor	0.1744
Rwork	0.172
R-free	0.21670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oq6 4mbp
RMSD bond length	0.007
RMSD bond angle	0.972
Data reduction software	XDS
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.084	0.022	0.579
Rmeas	0.090	0.023	0.639
Total number of observations	297756
Number of reflections	34824	467	2205
<I/σ(I)>	20.58	66.16	3.2
Completeness [%]	98.7	98.7	86.7
Redundancy	8.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	10 MG/ML MBP-MCL1, 200MM MG FORMATE, 20% PEG3350, 1MM MALTOSE, 2MM ligand 6, CRYOPROTECTANT 20% ETHYLENE GLYCOL, PH 7.0