1ZAU

Adenylation domain of NAD+ dependent DNA ligase from M.tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2004-05-05
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 61 2 2
Unit cell lengths	95.800, 95.800, 208.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 3.150
R-factor	0.253
Rwork	0.253
R-free	0.31400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.100
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.260
High resolution limit [Å]	3.150	3.150
Rmerge	0.153
Number of reflections	10337
<I/σ(I)>	4.4
Completeness [%]	99.4	99.6
Redundancy	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	297	NAD, NaCL, Na-HEPES, Ammonium sulphate, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 297K