4XJC

dCTP deaminase-dUTPase from Bacillus halodurans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-09
Detector	MAR CCD 165 mm
Wavelength(s)	1.03796
Spacegroup name	P 1 21 1
Unit cell lengths	92.720, 55.630, 95.600
Unit cell angles	90.00, 97.36, 90.00

Refinement procedure

Resolution	94.810 - 2.350
R-factor	0.20901
Rwork	0.207
R-free	0.24385
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qxx
RMSD bond length	0.011
RMSD bond angle	1.625
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.000	2.640
High resolution limit [Å]	2.350	2.350
Rmerge	0.164	0.761
Number of reflections	40236
<I/σ(I)>	8.87
Completeness [%]	98.8
Redundancy	3.27

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	200 mM lithium citrate, 20% PEG4000