7MCQ

Crystal structure of Staphylococcus aureus Cystathionine gamma lyase, AOAA-bound enzyme in dimeric form

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	2019-11-05
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.91956
Spacegroup name	P 43 2 2
Unit cell lengths	104.354, 104.354, 287.362
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.760 - 2.840
R-factor	0.1788
Rwork	0.177
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ixz
RMSD bond length	0.008
RMSD bond angle	1.056
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	2.900
High resolution limit [Å]	2.845	2.845
Rmerge	0.200	1.056
Rpim	0.061	0.316
Number of reflections	38274	1874
<I/σ(I)>	2.6	0.5
Completeness [%]	100.0	100
Redundancy	11.7
CC(1/2)	0.990	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1 M Tris-HCl, pH 7.6, 1.4 M Tri sodium Citrate, 10 mM AOAA