4DZH

Crystal structure of an adenosine deaminase from xanthomonas campestris (target nysgrc-200456) 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	2011-07-27
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	133.645, 53.150, 67.390
Unit cell angles	90.00, 106.54, 90.00

Refinement procedure

Resolution	17.968 - 1.552
R-factor	0.2095
Rwork	0.208
R-free	0.23320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lnp
RMSD bond length	0.024
RMSD bond angle	1.508
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.650
High resolution limit [Å]	1.550	1.550
Rmerge	0.068	0.527
Number of reflections	65349
<I/σ(I)>	18.9	2.8
Completeness [%]	99.6	100
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sitting drop vapor diffuction	7	298	Protein (10 mM Hepes, pH 7.8, 150 mM NaCl, 10% glycerol, 5 mM MgCl); Reservoir (1.0 M Succinic acid pH 7.0, 0.1 M HEPES pH 7.0, 1% Peg MME 2000); Cryoprotection (Reservoir, + 20% glycerol + 10 mM ZnCl, 10 mM Inosine), sitting drop vapor diffuction, temperature 298K