1KUI

Crystal Structure of a Taiwan Habu Venom Metalloproteinase complexed with pEQW.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	123
Detector technology	CCD
Collection date	2001-01-01
Detector	SIEMENS
Wavelength(s)	0.92
Spacegroup name	P 41 21 2
Unit cell lengths	61.082, 61.082, 127.593
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.500
Rwork	0.191
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.610
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.072	0.488
Total number of observations	273510 *
Number of reflections	38788
<I/σ(I)>	31.6	5.7
Completeness [%]	97.9	99.4
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6 *	4 *	PEG400, sodium acetate, cadmium chloride, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		0.1 (M)
2	1	reservoir	sodium acetate	0.1 (M)
3	1	reservoir	PEG400	30 (%(v/v))	pH4.6
4	1	drop	protein	10.5 (mg/ml)
5	1	drop	ammonium acetate	0.2 (M)	pH6.0
6	1	drop	synthetic inhibitor		0.0005ml