7MD6

Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103N mutant co-crystallized with NL1

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	104.379, 104.379, 287.729
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.770 - 2.200
R-factor	0.176
Rwork	0.174
R-free	0.20710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ixz
RMSD bond length	0.007
RMSD bond angle	0.902
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	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.186	1.131
Rpim	0.047	0.339
Number of reflections	40858	2213
<I/σ(I)>	6.7	0.6
Completeness [%]	99.9	98.4
Redundancy	16.4	11.1
CC(1/2)	0.993	0.833

Crystallization Conditions

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