28FN

Human MALT1 in complex with compound 22

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-30
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0800
Spacegroup name	P 1
Unit cell lengths	55.383, 57.247, 57.498
Unit cell angles	90.94, 108.57, 91.11

Refinement procedure

Resolution	45.800 - 3.000
R-factor	0.2109
Rwork	0.208
R-free	0.25680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.573
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.800	3.180
High resolution limit [Å]	3.000	3.000
Rmerge	0.151	0.970
Rmeas	0.182	1.167
Rpim	0.100	0.641
Number of reflections	13153	6980
<I/σ(I)>	3.5	1.2
Completeness [%]	98.3	98
Redundancy	3.2	3.3
CC(1/2)	0.984	0.596

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	293	0.1M PCTP buffer, 0.2M Ammonium acetate, 20%(w/v) PEG3350, pH8.0