6SAK

Structure of the OTULINcat C129A - SNX27 PDZ domain complex.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	110
Detector technology	PIXEL
Collection date	2017-12-15
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.96861
Spacegroup name	P 1
Unit cell lengths	54.645, 62.912, 72.017
Unit cell angles	65.13, 85.98, 85.38

Refinement procedure

Resolution	42.650 - 2.000
R-factor	0.2171
Rwork	0.215
R-free	0.25290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3znz 4p2a
RMSD bond length	0.003
RMSD bond angle	0.581
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.650	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.088	0.531
Number of reflections	55998	7167
<I/σ(I)>	5.7	1.7
Completeness [%]	95.6
Redundancy	1.7
CC(1/2)	0.989	0.382

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	291	19% (w/v) PEG 3,350, 200 mM Li2(SO4), 100 mM Bis-Tris pH 6.8