2STB

ANIONIC SALMON TRYPSIN IN COMPLEX WITH SQUASH SEED INHIBITOR (CUCURBITA PEPO TRYPSIN INHIBITOR II)

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, 63.400, 82.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.800
Rwork	0.176
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2tbs
RMSD bond length	0.012
RMSD bond angle	2.537
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	0.050
Total number of observations	279741 *
Number of reflections	35789
Completeness [%]	99.3
Redundancy	5

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	(mg/ml)
2	1	reservoir	citrate	(M)