7QLJ

Trans structure of rsKiiro Illuminated at 290 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-13
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91587
Spacegroup name	P 21 21 21
Unit cell lengths	38.747, 73.524, 78.106
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.053 - 1.020
Rwork	0.119
R-free	0.13670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ooz 5oqa
RMSD bond length	0.021
RMSD bond angle	2.546
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]	39.053	1.039
High resolution limit [Å]	1.020	1.020
Rmerge	0.061	0.777
Number of reflections	112855	5645
<I/σ(I)>	12.8	2.2
Completeness [%]	98.9
Redundancy	6.1
CC(1/2)	0.999	0.593

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