8A37

Crystal structure of PpSB1-LOV-K117E mutant (dark state), tetragonal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-09
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97625
Spacegroup name	P 41 21 2
Unit cell lengths	65.032, 65.032, 95.334
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.420 - 1.910
R-factor	0.1932
Rwork	0.192
R-free	0.22360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j3w
RMSD bond length	0.003
RMSD bond angle	0.607
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]	47.670	1.950
High resolution limit [Å]	1.910	1.910
Rmerge	0.060
Rmeas	0.063
Rpim	0.019	0.357
Number of reflections	16542	1087
<I/σ(I)>	21.1	2.5
Completeness [%]	100.0	100
Redundancy	11.6	11.6
CC(1/2)	0.999	0.873

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	0.2 M di-Sodium phosphate, 20 % (w/v) PEG 4000