2STA

ANIONIC SALMON TRYPSIN IN COMPLEX WITH SQUASH SEED INHIBITOR (CUCURBITA MAXIMA TRYPSIN INHIBITOR I)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM1A
Synchrotron site	ESRF
Beamline	BM1A
Temperature [K]	293
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	62.300, 63.700, 82.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.800
Rwork	0.193
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2tbs
RMSD bond length	0.013
RMSD bond angle	2.625
Data reduction software	DENZO
Data scaling software	CCP4
Phasing software	X-PLOR
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.800
Rmerge	0.085
Total number of observations	213810 *
Number of reflections	30958
Completeness [%]	98.9
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6	277 *	pH 6.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	citrate	1.0 (M)