6VT3

Naegleria gruberi RNA ligase K326A 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)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	52.700, 65.369, 93.836
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.776 - 1.844
R-factor	0.2131
Rwork	0.209
R-free	0.26250
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 (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.880
High resolution limit [Å]	1.844	5.010	1.844
Rmerge	0.067	0.028	1.048
Rmeas	0.075	0.032	1.156
Rpim	0.032	0.014	0.482
Number of reflections	28480	1523	1421
<I/σ(I)>	14.3
Completeness [%]	99.7	96.8	100
Redundancy	5.1	4.7	5.2
CC(1/2)		0.999	0.705

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	The NgrRnlK326A protein sample (21.4 mg/ml) was mixed with equal volume (1 ul) of 0.1 M HEPES pH 6.5, 25% PEG6000.