1V4L

Crystal structure of a platelet agglutination factor isolated from the venom of Taiwan habu (Trimeresurus mucrosquamatus)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL17B2
Synchrotron site	NSRRC
Beamline	BL17B2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-03-25
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.0
Spacegroup name	I 4 2 2
Unit cell lengths	119.866, 119.866, 360.815
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.000 - 2.800
Rwork	0.235
R-free	0.29400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1c3a
RMSD bond length	0.012
RMSD bond angle	1.680
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.100	0.482
Total number of observations	127650 *
Number of reflections	30509	2971 *
<I/σ(I)>	11.5	2.9
Completeness [%]	92.9	92.33 *
Redundancy	4.2	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	1,6-hexanediol, sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	52.3 (mg/ml)
2	1	reservoir	1,6-hexanediol	2.5 (M)
3	1	reservoir	sodium citrate	0.1 (M)	pH5.6