1OP8

Crystal Structure of Human Granzyme A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Collection date	2002-07-06
Detector	MARRESEARCH
Wavelength(s)	1.05
Spacegroup name	P 1
Unit cell lengths	49.480, 94.550, 94.870
Unit cell angles	117.12, 100.25, 100.12

Refinement procedure

Resolution	20.000 - 2.500
Rwork	0.218
R-free	0.28400 *
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	20.000
High resolution limit [Å]	2.500	2.500
Rmerge	0.045	0.045
Total number of observations	49835 *
Number of reflections	44569
Completeness [%]	85.1 *	80 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	4.7 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	ammonium sulfate	0.1-0.3 (M)
2	1	1	sodium acetate	0.1 (M)	pH4.7
3	1	1	PEG550 MME	30-40 (%(v/v))
4	1	2	protein	5.6-11.2 (mg/ml)