6RCA

X-ray structure uridine phosphorylase from Vibrio cholerae in complex with 2.2'-anhydrouridine at 1.34 A

Replaces:  5OUR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-13
Detector	PSI PILATUS 6M
Wavelength(s)	0.886
Spacegroup name	P 31
Unit cell lengths	93.245, 93.245, 152.928
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.596 - 1.345
R-factor	0.1356
Rwork	0.135
R-free	0.16860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k6o
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (2.6.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.596	44.596	1.430
High resolution limit [Å]	1.340	4.020	1.340
Rmerge	0.139	0.047	1.202
Rmeas	0.147	0.049	1.270
Total number of observations	3388833
Number of reflections	329624	12313	52973
<I/σ(I)>	11.52	42.83	1.9
Completeness [%]	99.7	99.7	99
Redundancy	10.281	10.344	9.734
CC(1/2)	0.999	0.999	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0,2 M MgCl2,6H2O, 15%(w/v) PEG 4000, 0,1 M TRIS -HCl, pH 8.5, 0.2 M 2,2'-anhydrouridine