7R56

Crystal structure of PpSB1-LOV-I48T mutant (light state)

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)	0.9762
Spacegroup name	P 61 2 2
Unit cell lengths	54.745, 54.745, 218.671
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.330 - 2.850
R-factor	0.2354
Rwork	0.231
R-free	0.27350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sw1
RMSD bond length	0.003
RMSD bond angle	0.519
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]	46.330	3.000
High resolution limit [Å]	2.850	2.850
Rmerge	0.051	1.037
Rmeas	0.057	1.148
Rpim	0.025	0.485
Number of reflections	5076	702
<I/σ(I)>	14.4
Completeness [%]	99.6
Redundancy	5.3
CC(1/2)	0.999	0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292.15	0.085 M HEPES pH 7.5, 17 % (w/v) PEG 4000, 15 % (v/v) glycerol, 8.5 % (v/v) isopropanol