7MDA

Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103A 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	105.227, 105.227, 287.668
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.950 - 2.240
R-factor	0.1855
Rwork	0.184
R-free	0.21110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ixz
RMSD bond length	0.007
RMSD bond angle	0.896
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	2.290
High resolution limit [Å]	2.240	2.240
Rmerge	0.241	1.405
Rpim	0.066	0.489
Number of reflections	39094	2261
<I/σ(I)>	5.4	0.1
Completeness [%]	99.9	99.4
Redundancy	13.9	8.4
CC(1/2)	0.983	0.697

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1 M HEPES sodium, pH 7.5, 1.3 M tri-sodium citrate