1X8Z

Crystal structure of a pectin methylesterase inhibitor from Arabidopsis thaliana

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2003-11-10
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	60.770, 106.190, 186.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.060 - 2.860
R-factor	0.22
Rwork	0.218
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	p(ALA) version of PDB entry 1RJ1
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	XDS (V. DEC. 2003)
Data scaling software	XDS (Version Dec. 2003)
Phasing software	EPMR
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.060	3.040
High resolution limit [Å]	2.860	2.860
Rmerge	0.059	0.274
Number of reflections	14136
<I/σ(I)>	16.91	5.4
Completeness [%]	98.4	98.1
Redundancy	3.5	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	298	10%(v/v) PEG 8000, 0.3M NaCl, 0.1M Na/K Pi, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K