6AGM

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	2016-05-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	54.189, 133.859, 87.670
Unit cell angles	90.00, 91.23, 90.00

Refinement procedure

Resolution	38.207 - 2.000
R-factor	0.195
Rwork	0.193
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qr7
RMSD bond length	0.009
RMSD bond angle	0.737
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	2.070
High resolution limit [Å]	2.000	2.000
Rpim	0.036	0.368
Number of reflections	82353	6902
<I/σ(I)>	19.4	1
Completeness [%]	97.0
Redundancy	6.4
CC(1/2)	0.997	0.651

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	16% PEG 4000, 10% 2-propanol, 0.1 M sodium citrate, pH 5.5