5I0M

Crystal structure of DR2231_E79A mutant in complex with dUMP

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	2012-11-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.939
Spacegroup name	P 21 21 2
Unit cell lengths	148.960, 78.267, 52.368
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.839 - 2.150
R-factor	0.1866
Rwork	0.184
R-free	0.23420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 2YFC
RMSD bond length	0.007
RMSD bond angle	0.805
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.839	42.839	2.270
High resolution limit [Å]	2.150	6.800	2.150
Rmerge		0.028	0.802
Rmeas	0.201
Rpim	0.094
Total number of observations	137850
Number of reflections	34099
<I/σ(I)>	10.3	19.7	0.9
Completeness [%]	99.8	98.6	99.9
Redundancy	4	3.7	4.1

Crystallization Conditions

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