6VTF

Naegleria gruberi RNA ligase with PPi

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 21 21 2
Unit cell lengths	124.745, 104.896, 120.073
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.210 - 2.710
R-factor	0.2202
Rwork	0.218
R-free	0.27400
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]	30.210	30.000	2.750
High resolution limit [Å]	2.700	7.300	2.700
Rmerge	0.088	0.044	0.419
Rmeas	0.101	0.050	0.491
Rpim	0.049	0.024	0.251
Number of reflections	41889	2217	2044
<I/σ(I)>	5.9
Completeness [%]	97.4	94.9	97.3
Redundancy	3.9	4	3.6
CC(1/2)		0.998	0.756

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	NgRnl wild type (10 mg/ml) was adjusted to 1 mM PPi and incubated for 15 min on ice before aliquots of the protein solution (1 ul) were mixed on a coverslip with an equal volume of precipitant solution containing 0.1 M HEPES pH 6.5, 30% PEG6000