1EUQ

CRYSTAL STRUCTURE OF GLUTAMINYL-TRNA SYNTHETASE COMPLEXED WITH A TRNA-GLN MUTANT AND AN ACTIVE-SITE INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	1999-04-12
Detector	OTHER
Spacegroup name	C 2 2 21
Unit cell lengths	230.910, 93.590, 113.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 3.100
Rwork	0.242
R-free	0.28500
RMSD bond length	0.010 *
RMSD bond angle	1.690 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.200
High resolution limit [Å]	3.100	3.100
Rmerge	0.092	0.375
Total number of observations	183349 *
Number of reflections	22694
<I/σ(I)>	0.158
Completeness [%]	100.0	100
Redundancy	4	1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7	298	2.1 M (NH4)2SO4, 70 mM Buffer, 20 mM MgCl2, 20 mM BME at 298 K, pH 7.0, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	Buffer
2	1	1	BME
3	1	1	MgCl2
4	1	1	(NH4)2SO4
5	1	2	MgCl2
6	1	2	(NH4)2SO4

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-15 (mg/ml)
10	1	reservoir	beta-mercaptoethanol	20 (mM)
2	1	drop	PIPES	10 (mM)
3	1	drop	beta-mercaptoethanol	5 (mM)
4	1	drop	tRNA mutant	2-5 (mg/ml)
5	1	drop		5 (mM)
6	1	drop	QSI	2 (mM)
7	1	reservoir	ammonium sulfate	2.1 (M)
8	1	reservoir	PIPES	70 (mM)
9	1	reservoir		20 (mM)