5W6M

Crystal structure of the human histidyl-tRNA synthetase mutant D175E

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	2017-01-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 41 21 2
Unit cell lengths	93.360, 93.360, 254.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.591 - 3.696
R-factor	0.2528
Rwork	0.250
R-free	0.31070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g84
RMSD bond length	0.004
RMSD bond angle	0.685
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.591	38.591	3.790
High resolution limit [Å]	3.696	16.530	3.696
Rmerge	0.092	0.035	0.817
Rmeas	0.096	0.036	0.851
Number of reflections	12712	166	904
<I/σ(I)>	21.03	56.3	3.71
Completeness [%]	99.6	89.7	98.6
Redundancy	12.586	9.536	12.605
CC(1/2)	0.999	0.999	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	0.1 M Tris pH 8, 0.2 M MgCl2 and 20% PEG 2000