1PPZ

Trypsin complexes at atomic and ultra-high resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, Hamburg
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Collection date	2002-04-08
Detector	MARRESEARCH
Wavelength(s)	0.8110
Spacegroup name	P 1 21 1
Unit cell lengths	32.999, 66.505, 39.244
Unit cell angles	90.00, 108.67, 90.00

Refinement procedure

Resolution	35.000 - 1.220 *
Rwork	0.141
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.000 *	1.240
High resolution limit [Å]	1.220	1.220
Rmerge	0.045 *
Number of reflections	47457 *
<I/σ(I)>	28	5.5
Completeness [%]	99.6	97.7
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5	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)