4JYZ

Crystal structure of E. coli glutaminyl-tRNA synthetase bound to ATP and native tRNA(Gln) containing the cmnm5s2U34 anticodon wobble base

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-01-05
Detector	NOIR-1
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	93.400, 234.620, 113.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.600 - 2.500
R-factor	0.237
Rwork	0.234
R-free	0.26300
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	1.389
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.600	2.580
High resolution limit [Å]	2.500	2.500
Rmerge	0.076	0.467
Number of reflections	44106
<I/σ(I)>	11.9	3
Completeness [%]	99.0	97
Redundancy	6.74	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	290	0.36-0.4 w/v sodium citrate, 40 mM PIPES, 20 mM MgSO4, 20 mM b-mercaptoethanol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K