4WMT

STRUCTURE OF MBP-MCL1 BOUND TO ligand 1 AT 2.35A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-30
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 21 21 2
Unit cell lengths	98.970, 136.300, 38.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.290 - 2.350
R-factor	0.169
Rwork	0.167
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4OQ6; 4MBP
Data reduction software	XDS
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.410
High resolution limit [Å]	2.350	2.350
Rmerge	0.106	0.384
Rmeas	0.114	0.042
Total number of observations	152847
Number of reflections	22069	296
<I/σ(I)>	14.77	4.8
Completeness [%]	98.2	84.9
Redundancy	6.9

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