6VT4

Naegleria gruberi RNA ligase R149A mutant apo

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	CCD
Collection date	2015-10-25
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97921
Spacegroup name	P 32
Unit cell lengths	55.244, 55.244, 98.932
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.150 - 2.160
R-factor	0.1949
Rwork	0.189
R-free	0.25170
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	2.190
High resolution limit [Å]	2.150	5.820	2.150
Rmerge	0.041	0.021	0.350
Rmeas	0.053	0.027	0.463
Rpim	0.034	0.017	0.301
Number of reflections	32271	864	912
<I/σ(I)>	15.7
Completeness [%]	99.3	93.9	99.7
Redundancy	2.4	2.3	2
CC(1/2)		0.998	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	The NgrRnlR149A protein sample (8.2 mg/ml) was mixed with equal volume (1 ul) of 0.1 M HEPES pH 6.5, 30% PEG6000