9J7Q

Crystal structure of S. aureus MccB with PLP

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	2021-11-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	I 2 2 2
Unit cell lengths	62.747, 80.261, 161.387
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.260 - 1.640
R-factor	0.1746
Rwork	0.173
R-free	0.20060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.171
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	1.670
High resolution limit [Å]	1.640	1.640
Rmeas	0.059	0.312
Rpim	0.016	0.086
Number of reflections	50071	2393
<I/σ(I)>	41.59	8.64
Completeness [%]	97.2	96.4
Redundancy	13.3	13.3
CC(1/2)	0.998	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	287.15	0.1M Sodium Acetate trihydrate pH4.5, 30% PEG 300