4DHK

Crystal structure of a deoxycytidine triphosphate deaminase (dCTP deaminase) from Burkholderia thailandensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0332
Spacegroup name	H 3
Unit cell lengths	92.870, 92.870, 137.590
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	69.440 - 2.050
R-factor	0.168
Rwork	0.168
R-free	0.18600
Structure solution method	MR
Starting model (for MR)	3km3
RMSD bond length	0.012
RMSD bond angle	1.417
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	69.440		2.100
High resolution limit [Å]	2.050	9.170	2.050
Rmerge	0.044	0.020	0.458
Number of reflections	27763	308	2046
<I/σ(I)>	22.71	64.6	3.4
Completeness [%]	100.0	97.8	100
Redundancy	4.52		4.48

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	290	Internal tracking number 225926. JCSG+ well A2. 20.0% w/v PEG3000, 0.1M Ammonium citrate/citric acid, 20% Ethylene glycol Cryo. ButhA.00973.a.A1 PS01180 46.83mg/ml, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 290K