3STO

Serpin from the trematode Schistosoma Haematobium

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	1999-10-27
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9793, 0.9788, 0.9667
Spacegroup name	P 32 2 1
Unit cell lengths	64.913, 64.913, 187.004
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	21.580 - 2.410
R-factor	0.1649
Rwork	0.162
R-free	0.21300
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.417
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.580	2.440
High resolution limit [Å]	2.410	2.400
Rmerge	0.108
Number of reflections	18443
<I/σ(I)>	36.6	8.97
Completeness [%]	98.6	100
Redundancy	13.5	14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	295	50mM acetate buffer, 5% PEG 6000, 1% Triton X-100, 3% dioxane, VAPOR DIFFUSION, SITTING DROP, temperature 295K