5W4Y

Crystal Structure of Riboflavin Lyase (RcaE) with cofactor FMN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	76.250, 113.470, 117.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.010 - 1.900
R-factor	0.158
Rwork	0.156
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b9o
RMSD bond length	0.010
RMSD bond angle	1.017
Data reduction software	iMOSFLM (7.2.1)
Data scaling software	iMOSFLM (7.2.1)
Phasing software	PHENIX (1.10.1-2155-000)
Refinement software	PHENIX (1.10.1-2155-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.010	1.900
High resolution limit [Å]	1.900	1.900
Rmerge	0.140	1.750
Number of reflections	81065
<I/σ(I)>	13.9
Completeness [%]	99.2	97.8
Redundancy	18.6	18.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.1 M Bis-Tris-HCl, 45% polypropylene glycol P400