1R5J

Crystal Structure of a Phosphotransacetylase from Streptococcus pyogenes

Experimental procedure

Experimental method	MAD
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	2003-06-28
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9797, 0.9794, 0.9500
Spacegroup name	P 43 3 2
Unit cell lengths	173.725, 173.725, 173.725
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.930 - 2.700
R-factor	0.229
Rwork	0.229
R-free	0.28100
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.700
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.750
High resolution limit [Å]	2.700	2.700
Number of reflections	25144
<I/σ(I)>	23.9	1.3
Completeness [%]	100.0	100
Redundancy	23.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5	298	BisTris, PEG 3350, sodium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 5.50