6VTG

Naegleria gruberi RNA ligase E227A 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 PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	124.101, 104.037, 119.974
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.730 - 2.490
R-factor	0.2172
Rwork	0.215
R-free	0.27320
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	2.540
High resolution limit [Å]	2.490	6.760	2.490
Rmerge	0.111	0.049	0.813
Rmeas	0.124	0.054	0.898
Rpim	0.053	0.023	0.376
Number of reflections	102490	2870	2709
<I/σ(I)>	7.4
Completeness [%]	99.3	97.3	99.8
Redundancy	5.6	5.5	5.5
CC(1/2)		0.997	0.668

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	The NgrRnlE227A protein sample (12 mg/ml) was mixed with equal volume (1 ul) of 0.1 M HEPES pH 6.5, 30% PEG6000