4MKY

Polymerase Domain from Mycobacterium tuberculosis Ligase D in complex with an annealed double-strand DNA break.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-10
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	87.580, 80.110, 118.390
Unit cell angles	90.00, 111.62, 90.00

Refinement procedure

Resolution	37.640 - 2.400
R-factor	0.19969
Rwork	0.197
R-free	0.24529
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2iru
RMSD bond length	0.009
RMSD bond angle	1.268
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	110.061	46.008	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge		0.032	0.825
Number of reflections	58964
<I/σ(I)>	12.3	16.9	0.9
Completeness [%]	98.5	99.5	96.1
Redundancy	6.6	7.1	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	285	20% PEG 3350, 200mM Ammonium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 285K