4DYK

Crystal structure of an adenosine deaminase from pseudomonas aeruginosa pao1 (target nysgrc-200449) with bound zn

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-20
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	73.906, 98.776, 119.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.748 - 2.000
R-factor	0.1774
Rwork	0.176
R-free	0.22360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lnp
RMSD bond length	0.008
RMSD bond angle	1.103
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.068	0.025	0.753
Number of reflections	59764
<I/σ(I)>	11.2
Completeness [%]	99.6	98	98.9
Redundancy	5.2	5.3	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	Protein (10 mM Hepes, pH 7.8, 150 mM NaCl, 10% glycerol); Reservoir (0.2 M MgCl, 0.1M Bis-Tris pH 6.5, 25% Peg3350); Cryoprotection (Reservoir, + 20% glycerol), sitting drop vapor diffuction, temperature 298K, VAPOR DIFFUSION, SITTING DROP