8RP1

Aminodeoxychorismate synthase complex from Escherichia coli, with glutamine added

This is a non-PDB format compatible entry.

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]	100
Detector technology	PIXEL
Collection date	2021-09-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.968000
Spacegroup name	P 21 21 21
Unit cell lengths	79.403, 109.912, 174.278
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.929 - 1.860
Rwork	0.167
R-free	0.20140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.564
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.929	1.926
High resolution limit [Å]	1.860	1.860
Rmerge	0.099	1.090
Number of reflections	128415	12660
<I/σ(I)>	16.67	2.63
Completeness [%]	100.0	99.98
Redundancy	13.3	13.5
CC(1/2)	0.998	0.853

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	MES, magnesium sulfate heptahydrate, glycerol