5EFO

X-ray structure uridine phosphorylase from Vibrio cholerae in complex with cytidine and cytosine at 1.63A.

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-15
Detector	PSI PILATUS 6M
Wavelength(s)	0.97989
Spacegroup name	P 1
Unit cell lengths	59.949, 76.336, 89.694
Unit cell angles	67.54, 73.74, 84.92

Refinement procedure

Resolution	19.970 - 1.630
R-factor	0.1652
Rwork	0.163
R-free	0.20730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lwz
RMSD bond length	0.007
RMSD bond angle	1.191
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.157	45.157	1.720
High resolution limit [Å]	1.630	5.150	1.630
Rmerge	0.080	0.034	0.428
Rmeas	0.096
Rpim	0.053	0.022	0.281
Total number of observations	533373	17493	68525
Number of reflections	164109
<I/σ(I)>	10.5	26.2	2.5
Completeness [%]	93.2	94.9	84.2
Redundancy	3.3	3.3	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	PEG4000, 0.1M TRIS-HCl, 0.2M MgCl2x6H2O