3I6S

Crystal Structure of the plant subtilisin-like protease SBT3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-30
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.5
Spacegroup name	P 43 21 2
Unit cell lengths	143.890, 143.890, 195.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.990 - 2.500
R-factor	0.25032
Rwork	0.249
R-free	0.28262
Structure solution method	MIRAS
RMSD bond length	0.010
RMSD bond angle	1.162
Data scaling software	XSCALE
Phasing software	SOLVE (2.09)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	3.000
High resolution limit [Å]	2.500	15.000	2.500
Rmerge	0.112	0.045	0.424
Number of reflections	71081
<I/σ(I)>	12.13	24.8	5.1
Completeness [%]	99.7	99.7	99.9
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.4	277	100 mM Bicine, 2.0 M NaCl, 10% (w/v) PEG 6000, 10 mM hexamminecobalt(III) chloride, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	8.4	277	100 mM Bicine, 2.0 M NaCl, 10% (w/v) PEG 6000, 10 mM hexamminecobalt(III) chloride, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	8.4	277	100 mM Bicine, 2.0 M NaCl, 10% (w/v) PEG 6000, 10 mM hexamminecobalt(III) chloride, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K