4G8J

X-ray Structure of Uridine Phosphorylease from Vibrio cholerae Complexed with Thymidine at 2.12 A Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-14
Detector	MAR CCD 165 mm
Wavelength(s)	0.801
Spacegroup name	P 1 21 1
Unit cell lengths	91.796, 95.905, 91.890
Unit cell angles	90.00, 119.96, 90.00

Refinement procedure

Resolution	11.988 - 2.119
R-factor	0.1511
Rwork	0.149
R-free	0.19740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o6v
RMSD bond length	0.009
RMSD bond angle	0.812
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	79.611	29.666	2.230
High resolution limit [Å]	2.119	6.700	2.120
Rmerge		0.032	0.247
Total number of observations		18304	80251
Number of reflections	78327
<I/σ(I)>	22.8	19.5	3.1
Completeness [%]	99.8	98.8	99
Redundancy	7.6	7.2	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	Magnesium chloride hexahydrate, TRIS hydrochloride, PEG 4000, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K