2XZ9

CRYSTAL STRUCTURE FROM THE PHOSPHOENOLPYRUVATE-BINDING DOMAIN OF ENZYME I IN COMPLEX WITH PYRUVATE FROM THE THERMOANAEROBACTER TENGCONGENSIS PEP-SUGAR PHOSPHOTRANSFERASE SYSTEM (PTS)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	60.113, 79.525, 156.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.187 - 1.677
R-factor	0.1706
Rwork	0.170
R-free	0.19160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bg5
RMSD bond length	0.006
RMSD bond angle	0.968
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.190	1.780
High resolution limit [Å]	1.680	1.680
Rmerge	0.040	0.640
Number of reflections	86331
<I/σ(I)>	19.5	2
Completeness [%]	99.4	98.2
Redundancy	3.7	3.65

Crystallization Conditions

crystal ID	method	pH	temperature	details
1