7MDB

Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103A 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	105.119, 105.119, 287.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.690 - 1.800
R-factor	0.1702
Rwork	0.170
R-free	0.18940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ixz
RMSD bond length	0.007
RMSD bond angle	1.011
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	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.104	1.409
Rpim	0.037	0.539
Number of reflections	74732	3667
<I/σ(I)>	38.6	1.6
Completeness [%]	100.0	99.9
Redundancy	8.9	7.3
CC(1/2)	0.989	0.748

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	0.1 M sodium cacodylate , pH 6.5, 1.3 M tri-sodium citrate