3QO6

Crystal structure analysis of the plant protease Deg1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 61 2 2
Unit cell lengths	126.135, 126.135, 328.303
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 2.500
R-factor	0.228
Rwork	0.215
R-free	0.26780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mh7
RMSD bond length	0.011
RMSD bond angle	1.710
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.590
High resolution limit [Å]	2.500	5.350	2.500
Rmerge	0.054	0.032	0.926
Number of reflections	53034
<I/σ(I)>	10.7
Completeness [%]	98.1	89.6	98.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.2	292	sodium citrate, ammonium sulfate, lithium sulfate, pH 5.2, vapor diffusion, temperature 292K