7PAV

MALT1 in complex with compound 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.969
Spacegroup name	P 1 21 1
Unit cell lengths	52.512, 75.103, 107.521
Unit cell angles	90.00, 94.16, 90.00

Refinement procedure

Resolution	53.620 - 2.199
R-factor	0.211
Rwork	0.208
R-free	0.25570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uoa
RMSD bond length	0.008
RMSD bond angle	1.030
Data reduction software	autoPROC (1.1.7)
Data scaling software	autoPROC (1.1.7)
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.600	2.310
High resolution limit [Å]	2.200	2.200
Rmerge	0.039	0.380
Number of reflections	29525	1477
<I/σ(I)>	14.7
Completeness [%]	69.4
Redundancy	3.4
CC(1/2)	0.990	0.928

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	PEG 3350, sodium formate, Tris