1HJ8

1.00 AA Trypsin from Atlantic Salmon

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	72.630, 82.770, 30.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.000
R-factor	0.118
R-free	0.14910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bit
RMSD bond length	0.016
RMSD bond angle	0.034
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.050
High resolution limit [Å]	1.000	1.000
Rmerge	0.049 *	0.232 *
Total number of observations	174662 *
Number of reflections	76713
<I/σ(I)>	8.2	3.2
Completeness [%]	76.5	53.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.8	310 *	pH 5.80

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	benzamidine	60 (mM)
3	1	reservoir	ammonium sulfate	0.7-0.8 (M)
4	1	reservoir	citrate	0.05 (M)	pH5.8