5T8T

Crystal Structure of a S-adenosylmethionine Synthase from Neisseria gonorrhoeae with bound AMP and Magnesium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 41 2 2
Unit cell lengths	116.580, 116.580, 145.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.502 - 2.100
R-factor	0.1715
Rwork	0.170
R-free	0.20550
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5t8s
RMSD bond length	0.007
RMSD bond angle	0.800
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (dev_2499: ???)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.111	0.048	0.577
Number of reflections	58908
<I/σ(I)>	11.53	22.22	3.14
Completeness [%]	99.6	93.8	100
Redundancy	7.1		7.3
CC(1/2)	0.997	0.997	0.911

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	NegoA.00040.a.B1.PW37902 at 20.8 mg/ml, mixed 1:1 with an equal volume Morpheus(b9): 10% (w/v) PEG-20000, 20% (v/v) PEG MME 550, 0.1 M bicine/Trizma base, pH = 8.5, 0.03 M each NaF, NaBr, NaI