8I05

Crystal structure of Escherichia coli glyoxylate carboligase double mutant

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	189.172, 189.172, 246.506
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.810 - 2.090
R-factor	0.2104
Rwork	0.209
R-free	0.24960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.992
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	2.140
High resolution limit [Å]	2.090	5.700	2.100
Rmerge	0.999	0.067	1.697
Number of reflections	253025	25087	22945
<I/σ(I)>	2.7
Completeness [%]	96.3	99.4	91.1
Redundancy	10.1	13.7	9.5

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)