9MKD

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	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-12
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	72.910, 76.970, 92.270
Unit cell angles	90.00, 93.42, 90.00

Refinement procedure

Resolution	34.560 - 2.450
Rwork	0.211
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DIALS (1.14.8)
Data scaling software	Aimless (0.7.4)
Refinement software	PRIME-X

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.560	2.550
High resolution limit [Å]	2.450	2.450
Rmerge	0.067	0.453
Rmeas	0.079	0.534
Rpim	0.042	0.280
Number of reflections	37685	4245
<I/σ(I)>	10
Completeness [%]	99.9
Redundancy	3.4
CC(1/2)	0.998	0.875

Crystallization Conditions

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