3HY1

Crystal Structure of catalytic fragment of E. coli AlaRS G237A in complex with SerSA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97971
Spacegroup name	P 21 21 21
Unit cell lengths	76.308, 117.092, 150.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.470 - 2.790
R-factor	0.231
Rwork	0.229
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.956
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.790	6.030	2.790
Rmerge	0.097	0.038	0.467
Number of reflections	34198
<I/σ(I)>	29.549
Completeness [%]	99.9	99.8	99.7
Redundancy	14.1	13.5	12.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	296	25% PEGMME550, 0.1 M MES, 0.2 M SODIUM SULFATE, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 296K