1LI7

Crystal Structure of Cysteinyl-tRNA Synthetase with Cysteine Substrate Bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2001-09-06
Detector	CUSTOM-MADE
Wavelength(s)	0.9800
Spacegroup name	P 41 21 2
Unit cell lengths	118.980, 118.980, 143.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.950 - 2.600
R-factor	0.249 *
Rwork	0.250
R-free	0.28900 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1li5
RMSD bond length	0.009 *
RMSD bond angle	1.970 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.000	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.100 *	0.520
Number of reflections	32373
<I/σ(I)>	15.6	4.1
Completeness [%]	100.0	100
Redundancy	8	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4 *	17 *	16% PEG 8000, 200 MM magnesium acetate, 1MM DTT, cacodylate, 5MM ATP, 10MM cysteine. 100 MM BUFFER, pH 6.5, VAPOR DIFFUSION, HANGING DROP at 290K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
10	1	reservoir	magnesium acetate	200 (mM)
11	1	reservoir	t-butanol	2 (%)
2	1	drop	HEPES	10 (mM)	pH7.4
3	1	drop		50 (mM)
4	1	drop	dithiothreitol	1 (mM)
5	1	drop		5 (mM)
6	1	drop	ATP	5 (mM)
7	1	drop	cysteine	10 (mM)
8	1	reservoir	PEG8000	15-17 (%)
9	1	reservoir	sodium cacodylate	100 (mM)	pH6.5