5GZ5

Crystal structure of snake venom phosphodiesterase (PDE) from Taiwan cobra (Naja atra atra) in complex with AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	200
Detector technology	CCD
Collection date	2016-03-05
Detector	RAYONIX MX300HE
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	171.207, 65.612, 88.675
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.876 - 2.093
R-factor	0.1803
Rwork	0.178
R-free	0.21870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gz4
RMSD bond length	0.013
RMSD bond angle	1.290
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.090	2.100
Rmerge	0.059
Number of reflections	59141
<I/σ(I)>	22.5
Completeness [%]	99.1
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M Imidazole pH6.5, 0.2M Zinc acetate, 20% PEG 3000, 1mM AMP