5LOK

X-ray structure of uridine phosphorylase from Vibrio cholerae in complex with cytidine and cytosine at 1.11 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-18
Detector	PSI PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 1
Unit cell lengths	64.258, 71.772, 89.228
Unit cell angles	69.35, 72.17, 85.78

Refinement procedure

Resolution	39.675 - 1.109
R-factor	0.1145
Rwork	0.114
R-free	0.13590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k6o
RMSD bond length	0.014
RMSD bond angle	1.401
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.083	46.083	1.180
High resolution limit [Å]	1.109	3.320	1.109
Rmerge	0.039	0.020	0.405
Number of reflections	501694
<I/σ(I)>	15.59	53.42	2.34
Completeness [%]	89.2	96.9	69.8
Redundancy	3.3
CC(1/2)	0.999	0.999	0.839

Crystallization Conditions

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