5TW7

Crystal structure of a GMP synthase (glutamine-hydrolyzing) 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	2016-07-20
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 1
Unit cell lengths	108.390, 109.350, 109.910
Unit cell angles	115.33, 100.00, 108.06

Refinement procedure

Resolution	46.116 - 2.350
R-factor	0.1875
Rwork	0.186
R-free	0.22320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gpm
RMSD bond length	0.008
RMSD bond angle	0.894
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.116	46.116	2.410
High resolution limit [Å]	2.350	10.510	2.350
Rmerge	0.075	0.026	0.517
Rmeas	0.087
Total number of observations	644834
Number of reflections	166001		12193
<I/σ(I)>	14.95	41.02	2.88
Completeness [%]	98.1	95.2	97.6
CC(1/2)	0.997	0.998	0.803

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	NegoA.17876.a.B1.PW39722 at 25.5 mg/mL against MCSG1 screen condition C6: 0.2 M magnesium chloride, 0.1 M HEPES, pH 7.5, 30% PEG400