7MD8

Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103N mutant co-crystallized with NL2

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	106.107, 106.107, 287.636
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.760 - 2.060
R-factor	0.1784
Rwork	0.177
R-free	0.19990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ixz
RMSD bond length	0.007
RMSD bond angle	0.858
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	2.100
High resolution limit [Å]	2.060	2.060
Rmerge	0.262	1.972
Rpim	0.066	0.587
Number of reflections	51126	3135
<I/σ(I)>	76.8	5.9
Completeness [%]	100.0	99.6
Redundancy	16	9.4
CC(1/2)	0.975	0.485

Crystallization Conditions

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