4WMS

STRUCTURE OF APO MBP-MCL1 AT 1.9A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-13
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 21 21 2
Unit cell lengths	99.050, 136.100, 37.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.250 - 1.900
R-factor	0.176
Rwork	0.174
R-free	0.21400
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	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.067	0.486
Rmeas	0.070	0.028
Total number of observations	538557
Number of reflections	40270	548
<I/σ(I)>	27.93	4.6
Completeness [%]	98.2	92.8
Redundancy	13.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	10 MG/ML MBP-MCL1 VCID 9272, 200MM MG FORMATE, 20% PEG3350, 1MM MALTOSE, CRYOPROTECTANT 20%