6NHX

mycobacterial DNA ligase D complexed with ATP and MES

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9789
Spacegroup name	P 1 21 1
Unit cell lengths	41.089, 49.687, 73.522
Unit cell angles	90.00, 103.18, 90.00

Refinement procedure

Resolution	40.818 - 1.400
R-factor	0.1884
Rwork	0.188
R-free	0.19770
RMSD bond length	0.006
RMSD bond angle	0.991
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.420
High resolution limit [Å]	1.400	1.400
Rpim	0.030	0.222
Number of reflections	56236	2709
<I/σ(I)>	34.1	3.4
Completeness [%]	98.5	96
Redundancy	7.4	4.3
CC(1/2)	0.997	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M MES PH 6.5 25% PEG 10000