2A3L

X-Ray Structure of Adenosine 5'-Monophosphate Deaminase from Arabidopsis Thaliana in Complex with Coformycin 5'-Phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-13
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 62 2 2
Unit cell lengths	131.325, 131.325, 208.254
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.910 - 3.340
R-factor	0.237
Rwork	0.237
R-free	0.32300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	RABBIT AMPD
RMSD bond length	0.016
RMSD bond angle	2.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.420
High resolution limit [Å]	3.340	3.340
Rmerge	0.060	0.489
Number of reflections	16001
<I/σ(I)>	22.579	3.922
Completeness [%]	99.6	99.5
Redundancy	6.1	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.6	295	8 MG/ML PROTEIN, 0.40 M MONOAMMONIUM DIHYDROGEN PHOSPHATE, 0.10 M TRI-SODIUM CITRATE, 10% (V/V) ETHANOL, vapor diffusion, hanging drop, temperature 295K, pH 5.60