7MD1

Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103N 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 EIGER2 X 16M
Wavelength(s)	0.91956
Spacegroup name	I 41 2 2
Unit cell lengths	105.260, 105.260, 288.304
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.420 - 2.300
R-factor	0.1655
Rwork	0.164
R-free	0.18480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ixz
RMSD bond length	0.007
RMSD bond angle	0.933
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	2.350
High resolution limit [Å]	2.300	2.300
Rmerge	0.162	1.519
Rpim	0.047	0.417
Number of reflections	36145	2375
<I/σ(I)>	61.3	6.5
Completeness [%]	99.9	100
Redundancy	12.9
CC(1/2)	0.998	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1 M HEPES sodium, pH 7.6, 1.2 M tri-sodium citrate