6VT1

Naegleria gruberi RNA ligase D172A mutant apo

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	2015-07-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	125.271, 104.183, 120.556
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.039 - 2.381
R-factor	0.2332
Rwork	0.232
R-free	0.27560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cot
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1-3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.380	6.510	2.380
Rmerge	0.095	0.041	0.574
Rmeas	0.109	0.047	0.686
Rpim	0.052	0.022	0.369
Number of reflections	115094	3323	3048
<I/σ(I)>	8.6
Completeness [%]	99.0	97.9	98.4
Redundancy	4	4	3.1
CC(1/2)		0.999	0.655

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	The NgrRnlD172A protein sample (12 mg/ml) was mixed with equal volume (1 ul) of 0.1 M HEPES pH 6.5, 30% PEG6000