8UMK

EPSPS TIPS 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	46.574, 57.950, 72.914
Unit cell angles	86.52, 81.56, 79.62

Refinement procedure

Resolution	45.370 - 1.900
R-factor	0.1627
Rwork	0.161
R-free	0.20330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.835
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	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge		0.035	0.249
Rmeas		0.048	0.346
Rpim	0.076	0.032	0.240
Number of reflections	49650	2332	2467
<I/σ(I)>	4.6
Completeness [%]	84.9	79.9	83.1
Redundancy	1.8	1.8	1.7
CC(1/2)		0.995	0.881

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