4YE6

The crystal structure of the intact human GlnRS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	80
Detector technology	CCD
Collection date	2014-08-09
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 2
Unit cell lengths	333.679, 57.983, 86.123
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.991 - 2.400
R-factor	0.2119
Rwork	0.210
R-free	0.23910
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.353
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXDE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.098	0.032
Rmeas	0.104	0.036
Rpim	0.056	0.015	0.866
Total number of observations	338898
Number of reflections	68893
<I/σ(I)>	7.3		0.81
Completeness [%]	99.8	96.2	100
Redundancy	4.9	4.5	5
CC(1/2)		0.999	0.289

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	289.15	0.1M calcium acetate, 0.1M Tris, pH 6.0, 12.5% (w/v) PEG 3,350, 60mM gly-gly-gly