7QLK

Cis structure intermediate of rsKiiro Illuminated at 200 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.7293
Spacegroup name	P 21 21 21
Unit cell lengths	38.648, 73.746, 78.142
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.691 - 1.458
Rwork	0.172
R-free	0.19730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ooz 5oqa
RMSD bond length	0.013
RMSD bond angle	1.834
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.691	1.546
High resolution limit [Å]	1.458	1.459
Rmerge	0.135
Number of reflections	34516	1725
<I/σ(I)>	10.7	1.4
Completeness [%]	87.0
Redundancy	13.1
CC(1/2)	0.999	0.643

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	8.4	295	0.2 M lithium sulfate, 0.1 M Tris-Cl, 25 % PEG 3350