5U4N

Crystal structure of a fructose-bisphosphate aldolase from Neisseria gonorrhoeae

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	2016-11-29
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	C 2 2 21
Unit cell lengths	82.950, 91.750, 85.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.766 - 1.600
R-factor	0.147
Rwork	0.146
R-free	0.17540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gay
RMSD bond length	0.006
RMSD bond angle	0.788
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.766	30.766	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.064	0.027	0.503
Number of reflections	43174
<I/σ(I)>	21.36	52.45	3.06
Completeness [%]	99.9	98.7	99.5
Redundancy	7.788	6.824	5.33
CC(1/2)	0.999	0.999	0.881

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	289	NegoA.01416.a.PS37962 at 21.2 mg/mL against MCSG 1 screen condition G11 0.1 M phosphate citrate pH 4.2, 40% PEG 300, crystal tracking ID 282713a1, unique puck ID nce6-10