9J7R

Crystal structure of S. aureus MccB mutant K196A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	55.998, 154.454, 150.038
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.260 - 2.500
R-factor	0.2211
Rwork	0.216
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.509
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.500	2.500
Rmeas	0.068	0.193
Rpim	0.022	0.086
Number of reflections	23029	967
<I/σ(I)>	21.09	4.23
Completeness [%]	92.0	84
Redundancy	6.4	3.5
CC(1/2)	0.996	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	287.15	0.1 M sodium citrate pH 5.5, 22% PEG1000