7RA4

Crystal structure of Neisseria gonorrhoeae serine acetyltransferase (CysE) in complex with serine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	102.857, 94.587, 79.254
Unit cell angles	90.00, 92.18, 90.00

Refinement procedure

Resolution	43.880 - 2.800
R-factor	0.2378
Rwork	0.234
R-free	0.26720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6wye
RMSD bond length	0.002
RMSD bond angle	0.583
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER (1.18.2_3874)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.880	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.149	0.915
Rpim	0.061	0.367
Number of reflections	18772	2723
<I/σ(I)>	9.1	2.2
Completeness [%]	99.9	100
Redundancy	6.9	7.2
CC(1/2)	0.995	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.4	291.15	0.1M TRIS pH 8.4, 26% (v/v) PEG 400