6W4U

Crystal structure of Triosephosphate isomerase 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	2020-02-13
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1
Unit cell lengths	43.500, 46.660, 66.830
Unit cell angles	71.90, 71.09, 68.36

Refinement procedure

Resolution	39.280 - 1.700
R-factor	0.1697
Rwork	0.168
R-free	0.21490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4iot as per MORDA
RMSD bond length	0.008
RMSD bond angle	0.879
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.18rc1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.037	0.024	0.485
Rmeas	0.043	0.028	0.561
Number of reflections	48225	468	3573
<I/σ(I)>	19.17	35.54	3.3
Completeness [%]	97.0	84.5	95.6
Redundancy	3.898	3.274	3.976
CC(1/2)	0.999	0.998	0.876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	290	RigakuReagents JCSG+ screen, condition A9: 200mM Ammonium chloride, 20% (w/V) PEG 3350: StmaA.00317.a.B1.PW38736 at 25.5mg/ml + 5mM Glucose-3-phosphate : cryo: 20% EG + 5mM glucose-3-phosphate, tray 313955a9: puck pzy9-10.