2BG5

Crystal Structure of the Phosphoenolpyruvate-binding Enzyme I-Domain from the Thermoanaerobacter tengcongensis PEP: Sugar Phosphotransferase System (PTS)

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	110
Spacegroup name	P 21 21 21
Unit cell lengths	82.094, 91.435, 181.847
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.820
R-factor	0.209
Rwork	0.208
R-free	0.25000
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.876
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0001)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.940
High resolution limit [Å]	1.820	1.820
Rmerge	0.070	0.240
Number of reflections	1230055
<I/σ(I)>	16.5	4.6
Completeness [%]	99.9	99.7
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.1 M SODIUM ACETATE TRIHYDRATE PH 4.6, 12% W/V PEG 4000, 7% V/V MPD