6VT0

Naegleria gruberi RNA ligase K170A 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	2014-03-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97921
Spacegroup name	P 32
Unit cell lengths	55.620, 55.620, 97.800
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.810 - 2.002
R-factor	0.1935
Rwork	0.188
R-free	0.24570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cot
Data reduction software	HKL-2000
Data scaling software	HKL-2000
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	2.030
High resolution limit [Å]	2.000	5.420	2.000
Rmerge	0.081	0.025	1.172
Rmeas	0.088	0.028	1.306
Rpim	0.036	0.011	0.571
Total number of observations	140397
Number of reflections	22816	1145	1139
<I/σ(I)>	13.4
Completeness [%]	100.0	99.7	100
Redundancy	6.2	6.2	5.2
CC(1/2)		0.999	0.509

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	The NgrRnlK170A protein sample (9.8 mg/ml) was mixed with equal volume (1 ul) of 0.1 M HEPES pH 6.5, 30% PEG6000. D172A