5MJI

Crystal Structure of RosB with bound intermediate OHC-RP (8-demethyl-8-formylriboflavin-5'-phosphate)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-06-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	I 41 2 2
Unit cell lengths	108.470, 108.470, 178.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.806 - 2.000
R-factor	0.1871
Rwork	0.186
R-free	0.20890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.122
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.100
High resolution limit [Å]	2.000	2.000
Rmerge		2.120
Number of reflections	36244
<I/σ(I)>	15.5	1.3
Completeness [%]	99.9
Redundancy	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291.15	0.3 M sodium formate, 25 % (v/v) Silver Bullet 49, 17 % (v/v) PEG 3350