8UMJ

Wild type EPSP synthase complexed with glyphosate and shikimate-3-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03317
Spacegroup name	P 1
Unit cell lengths	46.518, 63.282, 69.964
Unit cell angles	84.76, 85.51, 85.55

Refinement procedure

Resolution	48.740 - 1.930
R-factor	0.1751
Rwork	0.174
R-free	0.20840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.745
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.18rc3_3805: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.960
High resolution limit [Å]	1.930	5.240	1.930
Rmerge		0.034	0.291
Rmeas		0.047	0.404
Rpim		0.032	0.280
Number of reflections	50866	2644	1940
<I/σ(I)>	5.4
Completeness [%]	85.6	88.8	65.8
Redundancy	1.9	2	1.4
CC(1/2)	0.802	0.995	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.1M MES pH 6.5, 25% PEG 8000