3PAN

The crystal structure of adenosine deaminase with hypoxanthine bound from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-09
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	44.698, 74.146, 178.007
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.328 - 2.627
R-factor	0.1956
Rwork	0.192
R-free	0.25280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ou8
RMSD bond length	0.003
RMSD bond angle	0.701
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.720
High resolution limit [Å]	2.630	2.630
Rmerge	0.148	0.333
Number of reflections	18396
<I/σ(I)>	19.3	8.7
Completeness [%]	99.9	99.9
Redundancy	14.3	14.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.2 M Magnesium chloride, 0.1 M HEPES pH 7.5, 25% w/v PEG 3350. 2 mM hypoxanthine, VAPOR DIFFUSION, SITTING DROP, temperature 277K