6XRS

Crystal structure of a GTP-binding protein EngA (Der homolog) from Neisseria gonorrhoeae bound to GDP

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	2020-06-20
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 21 21 2
Unit cell lengths	138.160, 139.640, 127.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.980 - 2.800
R-factor	0.2047
Rwork	0.203
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dn8
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2-3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.980	46.980	2.870
High resolution limit [Å]	2.800	12.520	2.800
Rmerge	0.095	0.051	0.648
Rmeas	0.104	0.058	0.707
Total number of observations	379292
Number of reflections	61091	739	4478
<I/σ(I)>	12.65	24.2	3.26
Completeness [%]	99.8	94.7	100
Redundancy	6.209	5.23	6.301
CC(1/2)	0.997	0.995	0.901

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.6	287	NegoA.00852.a.D11.PD38388 CID102204 at 3.75 mg/mL against a focus screen based off Morpheus B10 6% PEG 8000, 20% ethylene glycol, 0.03 M NaF, 0.03 M NaBr, 0.03 M NaI, 0.1 M Bicine pH 8.6, crystal tracking ID 315086f2, unique puck ID loy8-5