6VT5

Naegleria gruberi RNA ligase R4a K121A 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	2015-10-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 32
Unit cell lengths	55.713, 55.713, 100.338
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.490 - 1.800
R-factor	0.1965
Rwork	0.194
R-free	0.22910
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]	30.000	30.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.103	0.075	0.515
Rmeas	0.122	0.090	0.591
Rpim	0.064	0.048	0.287
Number of reflections	58945	1587	1620
<I/σ(I)>	9.4
Completeness [%]	98.4	96.5	99.8
Redundancy	3.9	3.5	4
CC(1/2)		0.973	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	The NgrRnlR4A-K121A protein sample (10.2 mg/ml) was mixed with equal volume (1 ul) of 0.1 M HEPES pH 6.5, 30% PEG6000