6AGL

Molecular basis for feedback inhibition of tyrosine-regulated 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 1 2 1
Unit cell lengths	87.240, 48.722, 89.897
Unit cell angles	90.00, 117.91, 90.00

Refinement procedure

Resolution	37.921 - 2.500
R-factor	0.244
Rwork	0.242
R-free	0.28290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kfl
RMSD bond length	0.003
RMSD bond angle	0.589
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rpim	0.049	0.358
Number of reflections	22959	1885
<I/σ(I)>	16
Completeness [%]	97.8
Redundancy	5.1
CC(1/2)	0.996	0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	24% PEG3350 and 0.2 M KF, number 23 of PEG/Ion