6X1R

Crystal Structure of Choanoflagellate (Monosiga brevicollis) Dlg1 PDZ2 (mbDLG-2) in spacegroup P212121

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2020-03-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.977410
Spacegroup name	P 21 21 21
Unit cell lengths	35.091, 56.107, 57.918
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.299 - 1.300
R-factor	0.1956
Rwork	0.195
R-free	0.20720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2byg
RMSD bond length	0.005
RMSD bond angle	0.769
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.300	1.470	1.380
High resolution limit [Å]	1.300	1.380	1.300
Number of reflections	28809	8241	8463
<I/σ(I)>	24.04	5.42	2.48
Completeness [%]	99.4	99.9	96.5
Redundancy	6.04	6	3.61
CC(1/2)	1.000	0.866	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	0.2 M sodium malonate, pH 5, 20% w/v PEG3350