1O0C

CRYSTAL STRUCTURE OF L-GLUTAMATE AND AMPCPP BOUND TO GLUTAMINE AMINOACYL TRNA SYNTHETASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	2000-06-15
Detector	UCSD MARK II
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	241.100, 94.580, 116.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.500 *
R-factor	0.215
Rwork	0.213
R-free	0.27900 *
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.540
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	X-PLOR
Refinement software	X-PLOR (98.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.200 *	2.800
High resolution limit [Å]	2.500	2.500
Rmerge	0.070	0.529
Total number of observations	159330 *
Number of reflections	45855
<I/σ(I)>	8.9
Completeness [%]	99.2	99.2 *
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7	298	Ammonium Sulfate, pH 7.00, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	(NH4)2SO4
2	1	2	(NH4)2SO4

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	2 (M)
10	1	drop	protein	5 (mg/ml)
11	1	drop	AMPCPP	2 (mM)
2	1	reservoir	PIPES	20 (mM)	pH7.0
3	1	reservoir		10 (mM)
4	1	reservoir	beta-mercaptoethanol	20 (mM)
5	1	drop	ammonium sulfate	2.25 (M)
6	1	drop	PIPES	20 (mM)	pH7.0
7	1	drop		10 (mM)
8	1	drop	beta-mercaptoethanol	20 (mM)
9	1	drop	glutamine	60 (mM)