6QQK

Room temperature structure of blue light-irradiated AtPhot2LOV2 recorded after an accumulated dose of 34 kGy

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	293
Detector technology	PIXEL
Collection date	2018-06-22
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.968
Spacegroup name	P 43 21 2
Unit cell lengths	41.450, 41.450, 133.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.590 - 2.400
R-factor	0.24184
Rwork	0.239
R-free	0.28623
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4eep
RMSD bond length	0.002
RMSD bond angle	1.474
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.590	2.500
High resolution limit [Å]	2.400	2.400
Number of reflections	4926	558
<I/σ(I)>	17.64	1.52
Completeness [%]	98.0	99.1
Redundancy	23.1	23.5
CC(1/2)	0.999	0.726

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	12-17% PEG8000 0.2 M Calcium acetate 0.1 M MES