7MD9

Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.91956
Spacegroup name	I 41 2 2
Unit cell lengths	104.892, 104.892, 286.899
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.860 - 1.800
R-factor	0.1851
Rwork	0.184
R-free	0.20510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ixz
RMSD bond length	0.007
RMSD bond angle	0.868
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.092	1.045
Rpim	0.035	0.035
Number of reflections	73637	4871
<I/σ(I)>	219.2	12.4
Completeness [%]	99.4	99.4
Redundancy	7.7
CC(1/2)	0.998	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1 M HEPES sodium, pH 7.5, 1.3 M tri-sodium citrate