6E4B

The crystal structure of a putative alpha-ribazole-5'-P phosphatase from Escherichia coli str. K-12 substr. MG1655

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	114.114, 53.772, 199.133
Unit cell angles	90.00, 98.09, 90.00

Refinement procedure

Resolution	46.172 - 2.550
R-factor	0.1949
Rwork	0.193
R-free	0.22760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ij5
RMSD bond length	0.002
RMSD bond angle	0.449
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.500	2.590
High resolution limit [Å]	2.550	2.550
Rmerge	0.098	0.720
Rmeas	0.118	0.891
Rpim	0.064	0.518
Number of reflections	38300	1779
<I/σ(I)>	12.65	1.52
Completeness [%]	96.8	90.9
Redundancy	3.1	2.4
CC(1/2)		0.564

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.2 M magnesium chloride, 0.1 M Tris base/Hydrochloric acid. 20% (w/v) PEG 8000