6V9K

CRYSTAL STRUCTURE OF THE HYBRID C-TERMINAL DOMAIN OF ENZYME I OF THE BACTERIAL PHOSPHOTRANSFERASE SYSTEM FORMED BY HYBRIDIZING THE SCAFFOLD OF THE ESCHERICHIA COLI ENZYME WITH THE ACTIVE SITE LOOPS FROM THE THERMOANAEROBACTER TENGCONGENSIS ENZYME

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2018-09-20
Detector	RDI CMOS_8M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	57.380, 69.530, 84.657
Unit cell angles	90.00, 108.73, 90.00

Refinement procedure

Resolution	42.815 - 1.900
R-factor	0.1627
Rwork	0.161
R-free	0.20390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xz7
Data reduction software	XDS
Data scaling software	Aimless (0.7.2)
Phasing software	PHASER
Refinement software	PHENIX (1.14.3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.820	42.820	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.108	0.025	0.835
Rmeas	0.117	0.027	0.904
Rpim	0.044	0.010	0.342
Total number of observations	348445	3242	22234
Number of reflections	49363	473	3212
<I/σ(I)>	15.3	52.4	2.3
Completeness [%]	99.0	96.9	99.8
Redundancy	7.1	6.9	6.9
CC(1/2)	0.998	1.000	0.782

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH 7.0 and 20% w/v PEG 6000