7K74

Crystal Structure of Fructose-1,6-bisphosphatase, type I, from Stenotrophomonas maltophilia K279a

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	2018-07-23
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	76.040, 125.730, 158.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.780 - 2.200
R-factor	0.2145
Rwork	0.213
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nuy as per Morda
RMSD bond length	0.007
RMSD bond angle	0.881
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.078	0.033	0.551
Rmeas	0.084	0.036	0.592
Number of reflections	77671	972	5673
<I/σ(I)>	12.72	26.23	3.45
Completeness [%]	99.7	96.5	99.7
Redundancy	7.359	6.29	7.474
CC(1/2)	0.999	0.999	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	287	Rigaku Reagents JCSG+ screen, condition h12: 45% (V/V) MPD, 200mM Ammonium acetate, 100mM HEPES free acid / NaOH pH 7.5: StmaA.17936.a.B1.PW38784 at 22.75mg/ml + 4mM fructose-1,6-bisphosphate: tray: 315242h12, cryo: direct: puck: uog3-7