1R76

Structure of a pectate lyase from Azospirillum irakense

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-02-14
Detector	MARRESEARCH
Wavelength(s)	0.991880, 1.010719, 0.918407
Spacegroup name	P 65 2 2
Unit cell lengths	85.374, 85.374, 231.317
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	21.750 - 2.650
R-factor	0.198
Rwork	0.198
R-free	0.26200
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.700
High resolution limit [Å]	2.650	2.650
Rmerge	0.092
Number of reflections	12504
Completeness [%]	82.0	98.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	277	0.2M ammonium sulfate, Hepes, isopropanol, PEG 4000, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K