4OGL

X-ray structure uridine phosphorylase from Vibrio cholerae in complex with thymine at 1.25 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	2013-05-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	92.748, 96.499, 92.776
Unit cell angles	90.00, 119.99, 90.00

Refinement procedure

Resolution	7.997 - 1.249
R-factor	0.1169
Rwork	0.115
R-free	0.14700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ip0
RMSD bond length	0.008
RMSD bond angle	1.273
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.810	41.810	1.320
High resolution limit [Å]	1.249	3.950	1.250
Rmerge		0.025	0.699
Total number of observations		87580	330285
Number of reflections	383390
<I/σ(I)>	17	23.4	1.1
Completeness [%]	98.3	99.9	96.5
Redundancy	6.7	7	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	0.2 M MgCl2.6H2O, 15%(w/v) polyethylene glycol (PEG) 4000 in 0.1 M Tris HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K