2V9X

E138D variant of Escherichia coli dCTP deaminase in complex with dUTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	94.187, 71.301, 319.916
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.205
Rwork	0.203
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xs1
RMSD bond length	0.018
RMSD bond angle	1.743
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.010	0.030
Number of reflections	108216
<I/σ(I)>	15.5	3.2
Completeness [%]	96.3	84.3
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		27.5 %PEG 400, 50 MM MGSO4, 0.1 M HEPES, PH 7.5