5HX1

Crystal structure of DR2231_E46A mutant in complex with dUMP and magnesium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976
Spacegroup name	P 21 21 2
Unit cell lengths	148.827, 77.813, 52.266
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.387 - 1.799
R-factor	0.1752
Rwork	0.173
R-free	0.21320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 2YFC
RMSD bond length	0.021
RMSD bond angle	0.793
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.387	43.387	1.900
High resolution limit [Å]	1.799	5.690	1.799
Rmerge		0.022	0.447
Number of reflections	56414
<I/σ(I)>	12.2	26.3	1.7
Completeness [%]	98.6	97	97.6
Redundancy	3.5	3.3	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	293	Lithium Acetate, PEG3350