5VEV

Crystal Structure of Phosphoribosylamine-glycine Ligase from Neisseria gonorrhoeae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	73.310, 99.450, 131.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.515 - 1.900
R-factor	0.1667
Rwork	0.166
R-free	0.20060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mjf
RMSD bond length	0.006
RMSD bond angle	0.826
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.515	46.515	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.055	0.029	0.516
Rmeas	0.061	0.032	0.562
Number of reflections	74874	885	5400
<I/σ(I)>	19.23	44.57	3.68
Completeness [%]	97.8	89.2	97.2
Redundancy	6.283	5.568	6.382
CC(1/2)	0.999	0.999	0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	290	1:1 15 mg/mL NegoA.00865.a.B1.PW37919 / JCSG+(d4) (30% w/v PEG8000, 0.1 M sodium acetate/acetic acid, pH 4.5, 0.2 M lithium sulfate), cryoprotectant: 20% ethylene glycol