6NHZ

mycobacterial DNA ligase D complexed with ATP and Mg

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-27
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	39.618, 51.630, 72.874
Unit cell angles	90.00, 99.57, 90.00

Refinement procedure

Resolution	29.492 - 1.800
R-factor	0.209
Rwork	0.206
R-free	0.24390
RMSD bond length	0.006
RMSD bond angle	0.981
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.830
High resolution limit [Å]	1.800	1.800
Rpim	0.040	0.236
Number of reflections	25765
<I/σ(I)>	16.3	1.7
Completeness [%]	94.9	85.1
Redundancy	3.2	2.5
CC(1/2)	0.990	0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20 mM MgCl2 0.1 M NH4F 20% PEG 3350