8UMM

EPSPS TIPS K296R variant 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	2022-02-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03317
Spacegroup name	P 1
Unit cell lengths	45.738, 62.422, 68.031
Unit cell angles	86.56, 86.17, 86.69

Refinement procedure

Resolution	44.600 - 2.200
R-factor	0.1574
Rwork	0.155
R-free	0.19880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.038
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	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge		0.048	0.270
Rmeas		0.056	0.330
Rpim	0.062	0.029	0.189
Number of reflections	34634	1794	1502
<I/σ(I)>	4.2
Completeness [%]	89.0	92	77.7
Redundancy	3.5	3.7	2.6
CC(1/2)		0.997	0.898

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