1RXP

STRUCTURE OF TRYPSIN (ORTHORHOMBIC) WITH 1-(4-TERT-BUTYLCARBAMOYL- PIPERAZINE-1-CARBONYL)-3-(3-GUANIDINO-PROPYL)-4-OXO-AZETIDINE-2-CARBOXYLIC ACID

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	1998-06-21
Detector	MARRESEARCH
Wavelength(s)	1.540,1.080
Spacegroup name	P 21 21 21
Unit cell lengths	54.290, 58.250, 66.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.700
R-factor	0.195
Rwork	0.195
R-free	0.22200
Structure solution method	MR
RMSD bond length	0.009
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (98.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.056	0.184
Number of reflections	23883
<I/σ(I)>	23.9	7.3
Completeness [%]	99.8	99.3
Redundancy	7.6	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1