5HZZ

Crystal structure of DR2231_E47A mutant in complex with dUMP 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	2012-06-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.939
Spacegroup name	P 21 21 2
Unit cell lengths	150.452, 77.893, 52.597
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.590 - 1.801
R-factor	0.1655
Rwork	0.163
R-free	0.20720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 2YFC
RMSD bond length	0.006
RMSD bond angle	0.792
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]	43.590	43.590	1.900
High resolution limit [Å]	1.801	5.700	1.800
Rmerge		0.020	0.271
Rmeas	0.054	0.024	0.316
Rpim	0.028	0.013	0.160
Total number of observations	213560	6711	30604
Number of reflections	57527
<I/σ(I)>	18.8	36.7	4.9
Completeness [%]	99.1	96.9	98
Redundancy	3.7	3.4	3.7

Crystallization Conditions

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