3MZ8

Crystal Structure of Zinc-Bound Natrin From Naja atra

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	110
Detector technology	CCD
Collection date	2008-07-29
Detector	ADSC QUANTUM 4
Wavelength(s)	1.00000
Spacegroup name	C 2 2 21
Unit cell lengths	58.122, 65.539, 243.413
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.230 - 2.700
Rwork	0.183
R-free	0.24080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xta
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.630
High resolution limit [Å]	2.540	2.540
Rmerge	0.102	0.355
Number of reflections	15344
<I/σ(I)>	13.9
Completeness [%]	96.5	90.6
Redundancy	5.8	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	291	20%(w/v) PEG 8000, 0.1M HEPES, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 291K