3UQ8

Structure of adenylation domain of Haemophilus influenzae DNA ligases bound to NAD+ in adenylated state.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	298
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 43 21 2
Unit cell lengths	70.233, 70.233, 161.286
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.200 - 1.700
R-factor	0.1868
Rwork	0.185
R-free	0.21620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.024
RMSD bond angle	2.021
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall
Low resolution limit [Å]	32.200
High resolution limit [Å]	1.700
Number of reflections	41079
Completeness [%]	90.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5		The reservoir solution contained 16% (w/v) polyethylene glycol (PEG) 3500 and 350 mM sodium potassium tartrate. Hanging drops were set up at 18 C by mixing 2 l of protein solution with 2 l of the reservoir solution and crystals were observed within 3-4 days. , pH 7.5, VAPOR DIFFUSION, HANGING DROP