7LDA

Crystal structure of a ribose-5-phosphate 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	2020-02-27
Detector	RAYONIX MX-300
Wavelength(s)	0.9787
Spacegroup name	P 41 21 2
Unit cell lengths	97.410, 97.410, 129.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.580 - 1.450
R-factor	0.1495
Rwork	0.149
R-free	0.16310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3enq
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.19rc4-4035)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.580	45.580	1.490
High resolution limit [Å]	1.450	6.480	1.450
Rmerge	0.063	0.029	0.601
Rmeas	0.067	0.031	0.637
Total number of observations	1011070
Number of reflections	110116	1370	8042
<I/σ(I)>	19.16	42.42	3.62
Completeness [%]	99.9	97.6	100
Redundancy	9.182	8.358	9.263
CC(1/2)	0.999	0.999	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	287	StmaA.00944.a.B1.PW38722 at 29.2 mg/mL against MCSG1 screen condition G5: 0.1 M BisTris HCl pH6.5, 2.0M ammonium sulfate supplemented with 25% ethylene glycol as cryo, unique puck ID xqs9-4, 313871g5