3GDE

The closed conformation of ATP-dependent DNA ligase from Archaeoglobus fulgidus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-01-01
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0000
Spacegroup name	P 41 21 2
Unit cell lengths	94.355, 94.355, 197.416
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.221
Rwork	0.215
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cfm
RMSD bond length	0.010
RMSD bond angle	1.314
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.089
Number of reflections	40500
<I/σ(I)>	36	5.1
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	294	100mM Tris-HCl, pH9.0, 0.4M sodium dihydrogen phosphate, 1.2M dipotassium hydrogen phosphate, 10mM magnesium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 294K