7PAW

MALT1 in complex with compound 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	52.450, 74.970, 106.870
Unit cell angles	90.00, 93.87, 90.00

Refinement procedure

Resolution	53.310 - 2.190
R-factor	0.202
Rwork	0.200
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uoa
RMSD bond length	0.010
RMSD bond angle	1.180
Data reduction software	autoPROC (1.1.7)
Data scaling software	autoPROC (1.1.7)
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.600	2.290
High resolution limit [Å]	2.190	2.190
Rmerge	0.041	0.367
Number of reflections	30539	1527
<I/σ(I)>	13.6	2.5
Completeness [%]	71.9
Redundancy	3.3
CC(1/2)	0.990	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	Tris, PEG3350, sodium formate