4GK6

X-ray crystal structure of a hypothetical deoxyuridine 5-triphosphate nucleotidohydrolase from Mycobacterium abscessus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	I 2 3
Unit cell lengths	98.260, 98.260, 98.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.150 - 1.650
R-factor	0.1598
Rwork	0.159
R-free	0.18070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mq7
RMSD bond length	0.011
RMSD bond angle	1.486
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.690
High resolution limit [Å]	1.650	7.380	1.650
Rmerge	0.084	0.038	0.545
Number of reflections	19154	237	1420
<I/σ(I)>	14.59	33.45	3.27
Completeness [%]	100.0	97.5	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	1 M Lithium chloride, 0.1 M sodium acetate, 30% PEG 6000, pH 7.50, VAPOR DIFFUSION, SITTING DROP, temperature 289K