6KHQ

bacterial cystathionine gamma-lyase MccB of Staphylococcus aureus with cofactor 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	2019-06-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.00003
Spacegroup name	P 42 21 2
Unit cell lengths	132.281, 132.281, 97.954
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.200 - 2.300
R-factor	0.2052
Rwork	0.203
R-free	0.24920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kgz
RMSD bond length	0.002
RMSD bond angle	0.491
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Rmeas	0.072	0.373
Rpim	0.017	0.126
Number of reflections	39074	1914
<I/σ(I)>	28.11	3.92
Completeness [%]	99.5	98.7
Redundancy	14.1	7.5
CC(1/2)	1.000	0.701

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	288	PEG 400, Sodium Acetate