8S7M

RosC(R33A) - riboflavin complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-14
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	51.860, 51.990, 81.430
Unit cell angles	74.19, 81.79, 70.77

Refinement procedure

Resolution	48.880 - 1.500
R-factor	0.1795
Rwork	0.178
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.908
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.600
High resolution limit [Å]	1.500	12.000	1.500
Rmerge	0.047	0.019	0.571
Rmeas	0.056	0.023	0.680
Number of reflections	108403	223	11497
<I/σ(I)>	16.3
Completeness [%]	87.7
Redundancy	3.5
CC(1/2)	0.998	0.999	0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5	291	25% PEG 1500, 0.1 M TG pH 5.0