5HVA

Crystal structure of DR2231 in complex with dUMPNPP 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, 77.841, 52.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.560 - 2.100
R-factor	0.1796
Rwork	0.177
R-free	0.23270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yfc
RMSD bond length	0.009
RMSD bond angle	0.867
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.560	43.560	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge		0.020	0.450
Number of reflections	35444
<I/σ(I)>	13	23.2	1.8
Completeness [%]	97.2	98.8	85.3
Redundancy	3.3	3.3	2

Crystallization Conditions

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