2GN3

Metal-free (apo-PAL) in complex with alpha-D-Met-Man

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Collection date	2005-12-10
Detector	MAR CCD 165 mm
Wavelength(s)	0.8123
Spacegroup name	P 21 21 21
Unit cell lengths	58.858, 62.000, 129.918
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.970
R-factor	0.2
Rwork	0.198
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.530
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.050
High resolution limit [Å]	1.970	1.970
Number of reflections	33685
Completeness [%]	96.7	97.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	277	10% PEG6000, 20% MPD, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K