5GZ4

Crystal structure of snake venom phosphodiesterase (PDE) from Taiwan cobra (Naja atra atra)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	200
Detector technology	CCD
Collection date	2016-01-06
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97
Spacegroup name	P 21 21 2
Unit cell lengths	171.679, 65.876, 89.615
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.430 - 2.550
R-factor	0.237
Rwork	0.235
R-free	0.28800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4b56
RMSD bond length	0.012
RMSD bond angle	1.430
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.640
High resolution limit [Å]	2.550	2.550
Rmerge	0.111
Number of reflections	33771
<I/σ(I)>	13.1
Completeness [%]	99.8
Redundancy	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M Imidazole, 0.2M Zinc Acetate, PEG 3000