8I01

Crystal structure of Escherichia coli glyoxylate carboligase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9794
Spacegroup name	P 41 21 2
Unit cell lengths	189.617, 189.617, 248.631
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.580 - 2.150
R-factor	0.1927
Rwork	0.191
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.025
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (v2.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.190
High resolution limit [Å]	2.150	5.830	2.150
Rmerge	0.992	0.093	1.581
Total number of observations	5204950
Number of reflections	243437	23581	23522
<I/σ(I)>	2.5
Completeness [%]	100.0	100	100
Redundancy	11.1	13.6	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10 mM Tris-HCl (pH 8.0), 0.5 M sodium chloride, 40 mM dithiothreitol, 0.5% (v/v) polyethylene glycol 6000 (PEG6K), using hanging-drop vapor-diffusion method