1PQ8

Trypsin at pH 4 at atomic resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, Hamburg
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2001-09-15
Detector	MARRESEARCH
Wavelength(s)	0.8020
Spacegroup name	P 1
Unit cell lengths	32.930, 36.887, 39.744
Unit cell angles	102.67, 104.66, 102.61

Refinement procedure

Resolution	20.000 - 1.000
Rwork	0.128
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.000 *	1.010
High resolution limit [Å]	1.000	1.000
Rmerge	0.073 *
Number of reflections	86663 *
<I/σ(I)>	11	3.8
Completeness [%]	94.9	92.6
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4	293	Rypniewski, W.R., (1993) Protein Eng., 6, 341. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12.5 (mg/ml)
2	1	drop	ammonium sulfate	0.7 (M)
3	1	drop	citrate	50 (mM)
4	1	reservoir	ammonium sulfate	1.4 (M)
5	1	reservoir	sodium citrate	0.1 (M)