8UL2

Structure of rsKiiro using SSX after illumination with 0.53 mJ/mm^2 of 405 nm light

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	290
Detector technology	PIXEL
Collection date	2019-05-25
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9801
Spacegroup name	P 21 21 21
Unit cell lengths	39.600, 74.500, 78.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.227 - 1.700
Rwork	0.190
R-free	0.19160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.507
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.690	1.761
High resolution limit [Å]	1.700	1.700
Number of reflections	1313598	10464
<I/σ(I)>	3.556
Completeness [%]	98.8
Redundancy	50.2697	4.5
CC(1/2)	0.971	0.005

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	8.4	290	0.2 M lithium sulfate, 0.1 M Tris-Cl, 25 % PEG 3350