3L8R

The crystal structure of PtcA from S. mutans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 1W2B
Synchrotron site	BSRF
Beamline	1W2B
Temperature [K]	200
Detector technology	CCD
Collection date	2007-07-15
Detector	MAR CCD 165 mm
Wavelength(s)	1.0
Spacegroup name	H 3
Unit cell lengths	127.400, 127.400, 190.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.400 - 2.500
R-factor	0.212
Rwork	0.208
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e2a
RMSD bond length	0.018
RMSD bond angle	1.810
Data reduction software	HKL-2000
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.400
High resolution limit [Å]	2.500	2.500
Number of reflections	39798
Completeness [%]	100.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	0.1M HEPES 7.5, 2.0M (NH4)2SO4, VAPOR DIFFUSION, HANGING DROP, temperature 289K