6T74

New antiparallel dimer of aureochrome 1a LOV domain mutants from Phaeodactylum tricornutum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00
Spacegroup name	P 41 21 2
Unit cell lengths	100.746, 100.746, 120.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.520 - 1.900
Rwork	0.154
R-free	0.17480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5a8b
RMSD bond length	0.011
RMSD bond angle	1.652
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.520	1.968
High resolution limit [Å]	1.900	1.900
Rmerge	0.012	0.292
Rmeas	0.017	0.413
Rpim	0.012	0.292
Number of reflections	49476	4862
<I/σ(I)>	24.51	2.39
Completeness [%]	100.0	100
Redundancy	2	2
CC(1/2)	1.000	0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291.15	in 1.1 M sodium malonate, 0.1 M HEPES pH 7.0, 0.5 % Jeffamine ED-2003 under dark conditions