3PAO

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2000-10-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	44.637, 73.990, 178.012
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.503 - 2.493
R-factor	0.1842
Rwork	0.181
R-free	0.24030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ou8
RMSD bond length	0.007
RMSD bond angle	0.991
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	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.179	0.444
Number of reflections	24150
<I/σ(I)>	29.9	1.9
Completeness [%]	100.0	100
Redundancy	7.9	7.7

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 adenine, VAPOR DIFFUSION, SITTING DROP, temperature 277K