7SBJ

Crystal Structure of Ribulose-phosphate 3-epimerase 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	2021-09-16
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	C 2 2 21
Unit cell lengths	83.890, 136.480, 148.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.740 - 1.850
R-factor	0.1486
Rwork	0.148
R-free	0.17880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5umf as per Morda
RMSD bond length	0.008
RMSD bond angle	0.880
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.19 dev 4359)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.095	0.030	0.496
Rmeas	0.102	0.033	0.533
Number of reflections	72940	907	5361
<I/σ(I)>	17.49	47.98	4.37
Completeness [%]	100.0	99	99.9
Redundancy	7.446	6.547	7.456
CC(1/2)	0.998	0.998	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	287	Anatrace/Calibre MCSG1 screen, condition e7: 200mM ammonium iodide, 20% (w/V) PEG 3350: StmaA.18161.a.B1.PS38644 at 18.6mg/ml, tray: 321485e7, puck: pxu9-1: cryo: 20% EG