7W1F

Crystal structure of the dNTP triphosphohydrolase PA1124 from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-03
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9794
Spacegroup name	P 21 21 2
Unit cell lengths	88.077, 131.017, 136.462
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.660 - 2.900
R-factor	0.2325
Rwork	0.230
R-free	0.27350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x9e
RMSD bond length	0.005
RMSD bond angle	0.745
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.047	0.486
Number of reflections	34710	3459
<I/σ(I)>	29.2	2.2
Completeness [%]	97.4	99.2
Redundancy	3.8	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	PEG 2000, calcium acetate, Tris