8RP2

Aminodeoxychorismate synthase complex from Escherichia coli, with EDTA 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	2022-02-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976300
Spacegroup name	P 21 21 21
Unit cell lengths	78.965, 109.446, 178.859
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.019 - 1.980
Rwork	0.200
R-free	0.23880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.522
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]	45.019	2.051
High resolution limit [Å]	1.980	1.980
Rmerge	0.103	2.034
Number of reflections	108431	10703
<I/σ(I)>	16.7	1.67
Completeness [%]	99.9	99.95
Redundancy	13.2	13.6
CC(1/2)	0.999	0.693

Crystallization Conditions

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