4MCI

Crystal structure of uridine phosphorylase from vibrio fischeri es114 complexed with DMSO, NYSGRC Target 029520.

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-13
Detector	RAYONIX MX225HE
Wavelength(s)	0.9791
Spacegroup name	H 3 2
Unit cell lengths	163.993, 163.993, 58.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.340 - 2.010
R-factor	0.1789
Rwork	0.178
R-free	0.19860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lnh
RMSD bond length	0.009
RMSD bond angle	1.219
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	81.996	81.996	2.120
High resolution limit [Å]	2.010	6.360	2.010
Rmerge		0.059	0.482
Total number of observations		4395	10720
Number of reflections	19810
<I/σ(I)>	12.2	10.3	1.6
Completeness [%]	98.2	96.7	89.4
Redundancy	6.7	6.7	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.2 M AMMONIUM SULFATE, 0.1 M HEPES:NAOH, PH 8.5, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K