1FI8

RAT GRANZYME B [N66Q] COMPLEXED TO ECOTIN [81-84 IEPD]

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	85
Detector technology	IMAGE PLATE
Collection date	1999-08-03
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	56.640, 154.600, 57.240
Unit cell angles	90.00, 119.76, 90.00

Refinement procedure

Resolution	35.700 - 2.200
R-factor	0.222
Rwork	0.218
R-free	0.25200
RMSD bond length	0.007
RMSD bond angle	24.900 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	EPMR
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.800	2.280
High resolution limit [Å]	2.200	2.210
Rmerge	0.093	0.580
Total number of observations	121975 *
Number of reflections	48837 *
<I/σ(I)>	6.8
Completeness [%]	90.3	90 *
Redundancy	2.7	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8 *	18 *	sodium acetate, PEGmme 2000, ammonium acetate,, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	5.8 *	18 *	sodium acetate, PEGmme 2000, ammonium acetate,, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop		50-1500 (mM)
2	1	drop	protein	5 (mg/ml)
3	1	reservoir	sodium acetate	100 (mM)	pH5.8
4	1	reservoir	ammonium sulfate	100 (mM)
5	1	reservoir	PEG2000MME	25 (%(w/v))