9MKE

Crystal structure of MALT1 in complex with an allosteric inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.91840
Spacegroup name	P 1 21 1
Unit cell lengths	73.260, 77.870, 93.220
Unit cell angles	90.00, 93.00, 90.00

Refinement procedure

Resolution	56.110 - 2.340
Rwork	0.204
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS (20170601)
Data scaling software	XSCALE (20170601)
Refinement software	PRIME-X

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.110	2.383
High resolution limit [Å]	2.340	2.340
Rmerge	0.051	0.609
Rmeas	0.061	0.718
Rpim	0.032	0.378
Number of reflections	43624	2178
<I/σ(I)>	16.8	2.2
Completeness [%]	98.6
Redundancy	3.5
CC(1/2)	0.999	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.10M sodium hepes, 0.40 M calcium chloride, 20% (v/v) PEG 400