6NOW

Human Mitochondrial Alanyl-tRNA Synthetase C-Ala domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97938
Spacegroup name	I 41
Unit cell lengths	104.420, 104.420, 164.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.890 - 4.099
R-factor	0.2358
Rwork	0.233
R-free	0.28200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nly
RMSD bond length	0.003
RMSD bond angle	0.653
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.890	35.890	4.210
High resolution limit [Å]	4.100	18.330	4.100
Rmerge	0.055	0.040	0.684
Rmeas	0.059	0.044	0.738
Total number of observations	52247
Number of reflections	6904	67	504
<I/σ(I)>	17.45	42.79	2.74
Completeness [%]	99.7	85.9	99.6
Redundancy	7.568	5.164	7.028
CC(1/2)	0.999	0.998	0.873

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7	298	0.1 M imidazole, 2 M sodium chloride