7AC8

Molecular basis for the unique allosteric activation mechanism of the heterodimeric imidazole glycerol phosphate synthase complex.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	103.15
Detector technology	PIXEL
Collection date	2019-10-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 32
Unit cell lengths	92.835, 92.835, 168.625
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.070 - 2.060
R-factor	0.1578
Rwork	0.156
R-free	0.18610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gpw
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.100	2.134
High resolution limit [Å]	2.060	2.060
Rmerge	0.086	1.052
Number of reflections	100496	10012
<I/σ(I)>	16.19
Completeness [%]	100.0	99.99
Redundancy	10.3	10.7
CC(1/2)	0.999	0.709

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	Pentaerythritol (5/4 PO/OH), sodium thiocyanate, HEPES, L-glutamine, ProFAR