8I08

Crystal structure of Escherichia coli glyoxylate carboligase quadruple 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	2022-10-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9794
Spacegroup name	P 41 21 2
Unit cell lengths	188.565, 188.565, 246.486
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.920 - 1.910
R-factor	0.2268
Rwork	0.225
R-free	0.27170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.996
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	1.940
High resolution limit [Å]	1.910	5.180	1.910
Rmerge	0.989	0.074	0.964
Total number of observations	4914883
Number of reflections	337289	32837	32608
<I/σ(I)>	2.1
Completeness [%]	99.6	100	99.3
Redundancy	7.5	12.2	5.5

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)