4OM4

Crystal structure of CTX A2 from Taiwan Cobra (Naja naja atra)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	200
Detector technology	CCD
Collection date	2009-08-04
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	107.412, 107.412, 100.256
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.620 - 2.740
R-factor	0.19979
Rwork	0.197
R-free	0.25960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bhi
RMSD bond length	0.015
RMSD bond angle	1.914
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.840
High resolution limit [Å]	2.740	5.890	2.740
Rmerge	0.103	0.059	0.494
Number of reflections	15865
<I/σ(I)>	13.2
Completeness [%]	99.9	99.4	100
Redundancy	15.5	13.9	15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	291	5.5 M ammonium nitrate, 0.1 M Bis-Tris, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K