1OZ7

Crystal structure of Echicetin from the venom of Indian saw-scaled viper (Echis carinatus) at 2.4 resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	283
Detector technology	IMAGE PLATE
Collection date	2002-06-06
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	37.966, 95.258, 42.611
Unit cell angles	90.00, 112.58, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.18819
Rwork	0.185
R-free	0.24800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bj3
RMSD bond length	0.012 *
RMSD bond angle	2.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.098	0.210
Number of reflections	9776
<I/σ(I)>	9	2.5
Completeness [%]	95.0	85 *
Redundancy	5	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6 *	298	100mM Sodium acetate, 2.0M Ammonium sulphate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	sodium acetate trihydrate	0.1 (M)	pH4.6
2	1	drop	protein	15 (mg/ml)
3	1	reservoir	ammonium sulfate	2.0 (M)
4	1	reservoir	sodium acetate	0.1 (M)	pH4.6
5	1	reservoir		10 (mM)