3NJV

Rhamnogalacturonan lyase from Aspergillus aculeatus K150A substrate complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-5
Synchrotron site	MAX II
Beamline	I911-5
Temperature [K]	100
Detector technology	CCD
Collection date	2005-12-03
Detector	MAR CCD 165 mm
Wavelength(s)	0.97
Spacegroup name	P 43 21 2
Unit cell lengths	76.974, 76.974, 170.649
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.1882
Rwork	0.185
R-free	0.25240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nkg
RMSD bond length	0.008
RMSD bond angle	1.140
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	20845	2023
<I/σ(I)>	26.5	13.3
Completeness [%]	99.7	99.5
Redundancy	11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	20% PEG4000, 0.1 M Ammonium Sulphate, soaked in degraded RG in same conditions as crystallization conditions with 9% PEG400 as cryo protectant, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K