1PJU

Unbound form of Tomato Inhibitor-II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	105
Detector technology	CCD
Collection date	2002-07-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97
Spacegroup name	C 1 2 1
Unit cell lengths	58.688, 106.607, 81.804
Unit cell angles	90.00, 104.12, 90.00

Refinement procedure

Resolution	50.000 * - 2.150
R-factor	0.20786
Rwork	0.206
R-free	0.25000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oyv
RMSD bond length	0.008
RMSD bond angle	1.120 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.074	0.304
Total number of observations	96074 *
Number of reflections	26506	2619 *
<I/σ(I)>	16.2	4.3
Completeness [%]	99.8	99.7
Redundancy	3.6	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	PEG 10K, Ammonium sulfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG10000	7 (%(w/v))
2	1	reservoir	ammonium sulfate	50 (mM)