7MD0

Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme in the presence of NL1F3

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	2019-05-29
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.91956
Spacegroup name	I 41 2 2
Unit cell lengths	104.791, 104.791, 287.866
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.660 - 2.120
R-factor	0.1723
Rwork	0.171
R-free	0.19760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ixz
RMSD bond length	0.007
RMSD bond angle	0.905
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	2.160
High resolution limit [Å]	2.120	2.120
Rmerge	0.247	0.777
Rpim	0.061	0.230
Number of reflections	45500	2197
<I/σ(I)>	7.9	0.7
Completeness [%]	99.8	97.8
Redundancy	16.6	8.7
CC(1/2)	0.967	0.871

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	291	0.1 M HEPES sodium, pH 7.6, 1.4 M tri-sodium citrate