5MLD

Crystal Structure of RosB with bound intermediate AFP (8-demethyl-8-aminoriboflavin-5'-phosphate)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	77
Detector technology	PIXEL
Collection date	2016-03-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	131.490, 71.130, 214.800
Unit cell angles	90.00, 92.08, 90.00

Refinement procedure

Resolution	47.540 - 1.700
R-factor	0.1759
Rwork	0.174
R-free	0.21310
RMSD bond length	0.007
RMSD bond angle	0.955
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.700
Number of reflections	202389
<I/σ(I)>	15.36
Completeness [%]	92.9
Redundancy	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291.15	0.3 M sodium formate, 0.1 M potassium chloride, 17 % (v/v) PEG 3350