6T73

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	2019-04-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00
Spacegroup name	P 65 2 2
Unit cell lengths	168.374, 168.374, 95.711
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.605 - 3.435
R-factor	0.2505
Rwork	0.249
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5a8b
Data reduction software	XDS
Phasing software	PHENIX (1.16_3549)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.605	3.560
High resolution limit [Å]	3.435	3.435
Rmerge	0.046	0.497
Rmeas	0.066	0.704
Rpim	0.046	0.497
Number of reflections	11046	1047
<I/σ(I)>	8.36	1.29
Completeness [%]	99.0	92.89
Redundancy	2	2
CC(1/2)	0.998	0.595

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.1 M HEPES pH 7.5, 0.8 M NaH2PO4, 0.8 M H2KPO4