8A33

Crystal structure of PpSB1-LOV-K117E mutant (light state)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97918
Spacegroup name	P 61 2 2
Unit cell lengths	54.329, 54.329, 220.555
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.010 - 2.950
R-factor	0.238
Rwork	0.232
R-free	0.28790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sw1
RMSD bond length	0.002
RMSD bond angle	0.389
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19rc6_4061)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.050	3.130
High resolution limit [Å]	2.950	2.950
Rmerge	0.069
Rmeas	0.074
Rpim	0.026	0.450
Number of reflections	4623	706
<I/σ(I)>	14	1.7
Completeness [%]	99.9	99.9
Redundancy	8.9	9.2
CC(1/2)	0.998	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10	293.15	0.1 M Glycine, 20 % (w/v) PEG 8000