6KGZ

bacterial cystathionine gamma-lyase MccB of Staphylococcus aureus

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	2019-04-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.00003
Spacegroup name	I 41 2 2
Unit cell lengths	105.567, 105.567, 287.986
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.590 - 2.300
R-factor	0.2116
Rwork	0.210
R-free	0.23640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l0o
RMSD bond length	0.003
RMSD bond angle	0.554
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Rmeas	0.125
Rpim		0.159
Number of reflections	36627	1774
<I/σ(I)>	16.67	2.4
Completeness [%]	99.6	98.4
Redundancy	14.7
CC(1/2)	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	311	Tacsimate, PEG 3350