4H3S

The Structure of Glutaminyl-tRNA Synthetase from Saccharomyces Cerevisiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.1696
Spacegroup name	P 31 2 1
Unit cell lengths	176.611, 176.611, 72.188
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.495 - 2.150
R-factor	0.1611
Rwork	0.160
R-free	0.17560
Structure solution method	MRSAD
Starting model (for MR)	1gts
RMSD bond length	0.003
RMSD bond angle	0.714
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: dev_1096))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.470	2.270
High resolution limit [Å]	2.150	2.150
Rmerge	0.068	0.348
Number of reflections	70276
<I/σ(I)>	23.3	3
Completeness [%]	99.9	99.5
Redundancy	11.2	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch under oil	7.5	287.15	3.5 micro L of protein solution (13.9 mg/ml protein in 200mM NaCl, 5% (v/v) glycerol, 2mM DTT, 0.025% (w/v) NaN3, 20mM HEPES buffer, pH 7.5) with 2.0 micro L of precipitant solution (50mM NH4Br, 50mM KC2H3O2, 100mM HEPES, pH 7.5 and 20%(w/v) PEG 20K, Batch under oil, temperature 287.15K