38GO

Crystal structure of MALT1 in complex with safimaltib

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-01
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	1.000010
Spacegroup name	C 1 2 1
Unit cell lengths	144.451, 66.664, 94.444
Unit cell angles	90.00, 126.65, 90.00

Refinement procedure

Resolution	57.790 - 2.070
R-factor	0.1938
Rwork	0.192
R-free	0.23370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.833
Data reduction software	xia2
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.790	2.100
High resolution limit [Å]	2.070	2.070
Rmerge	0.182	1.341
Rpim	0.040	0.876
Number of reflections	44040	2089
<I/σ(I)>	9.9	1.1
Completeness [%]	99.8	95.7
Redundancy	20	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	29% PEG3350, 5mM DTT, 0.2M MgCl2, 0.1M BIS-TRIS, pH 5.6