3IG2

The Crystal Structure of a Putative Phenylalanyl-tRNA synthetase (PheRS) beta chain domain from Bacteroides fragilis to 2.1A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9794
Spacegroup name	P 1
Unit cell lengths	48.496, 60.335, 78.805
Unit cell angles	99.04, 100.37, 105.08

Refinement procedure

Resolution	28.450 - 2.090
R-factor	0.197
Rwork	0.195
R-free	0.23600
RMSD bond length	0.012
RMSD bond angle	1.343
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC (refmac_5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.090	4.520	2.100
Rmerge	0.068	0.064	0.241
Number of reflections	47621
<I/σ(I)>	15.9
Completeness [%]	98.0	97.7	97.3
Redundancy	2.6	2.6	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20% PEG 3350, 0.2M Magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 277K