4PHC

Crystal Structure of a human cytosolic histidyl-tRNA synthetase, histidine-bound

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	2012-02-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	89.087, 92.993, 261.083
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.410 - 2.844
R-factor	0.2024
Rwork	0.201
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.157
Data reduction software	XDS (0.1.27)
Data scaling software	Aimless (2.5.2)
Phasing software	PHASER
Refinement software	REFMAC (refmac_5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.410	39.410	2.940
High resolution limit [Å]	2.840	11.370	2.840
Rmerge	0.148	0.030	0.983
Rpim	0.075	0.016	0.510
Total number of observations	211016	3377	16558
Number of reflections	49252
<I/σ(I)>	9	26.9	1.6
Completeness [%]	95.3	87.3	89.4
Redundancy	4.3	4.3	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M Tris pH 7 to 9, 0.2 M MgCl2 and 20 to 32.5% PEG 3350