4YE8

The crystal structure of the Y57H mutant of 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]	100
Detector technology	CCD
Collection date	2014-08-09
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9792
Spacegroup name	P 21 21 2
Unit cell lengths	333.088, 58.259, 85.132
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.874 - 3.300
R-factor	0.2254
Rwork	0.221
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ye6
RMSD bond length	0.015
RMSD bond angle	1.927
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.360
High resolution limit [Å]	3.300	8.940	3.300
Rmerge	0.189	0.031
Rmeas	0.197	0.036
Rpim	0.118	0.017	0.714
Total number of observations	124797
Number of reflections	25952
<I/σ(I)>	4.1
Completeness [%]	99.8	96.9	100
Redundancy	4.8	4.1	4.9
CC(1/2)		0.998	0.328

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	289	ammonium acetate, bis-tris, 17% (w/v) PEG 10,000