5HWU

Crystal Structure of DR2231_E46A mutant in complex with dUMPNPP and Manganese

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	2013-02-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.939
Spacegroup name	C 2 2 21
Unit cell lengths	52.263, 78.014, 141.958
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.521 - 2.100
R-factor	0.2033
Rwork	0.201
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 2YFC
RMSD bond length	0.007
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]	41.521	41.521	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge		0.025	0.636
Number of reflections	17331
<I/σ(I)>	10	22.4	1.2
Completeness [%]	99.8	98.7	100
Redundancy	3.4	3.2	3.5

Crystallization Conditions

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