4YE9

The crystal structure of the G45V mutant of human GlnRS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-08-24
Detector	PSI PILATUS 6M
Wavelength(s)	1.03318
Spacegroup name	P 21 21 2
Unit cell lengths	336.940, 58.525, 86.646
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.498 - 2.700
R-factor	0.2293
Rwork	0.228
R-free	0.26230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ye6
RMSD bond length	0.010
RMSD bond angle	1.603
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.116	0.059
Rmeas	0.126	0.068
Rpim	0.099	0.033	0.975
Total number of observations	223431
Number of reflections	59517
<I/σ(I)>	4.6		0.73
Completeness [%]	98.7	96.7	98.4
Redundancy	3.8	4	3.3
CC(1/2)		0.994	0.008

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	ammonium acetate, bis-tris, PEG 20,000, EDTA