2BTC

BOVINE 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	59.100, 55.700, 74.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.500
Rwork	0.183
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ppe
RMSD bond length	0.012
RMSD bond angle	2.538
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]	1.500
Rmerge	0.084
Total number of observations	266925 *
Number of reflections	60871
Completeness [%]	89.8
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6	20 *	pH 6.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	20 (%)
2	1	reservoir	phosphate	0.1 (M)