7U5Y

Crystal structure of ribulose-phosphate 3-epimerase from Pseudomonas aeruginosa

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	P 21 21 21
Unit cell lengths	99.010, 110.130, 126.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.030 - 2.550
R-factor	0.2054
Rwork	0.203
R-free	0.25760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5UMF as per Morda
RMSD bond length	0.004
RMSD bond angle	0.698
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.20.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.620
High resolution limit [Å]	2.550	11.400	2.550
Rmerge	0.066	0.032	0.585
Rmeas	0.072	0.036	0.639
Number of reflections	45708	570	3331
<I/σ(I)>	16.77	36.99	3.07
Completeness [%]	99.7	96	99.9
Redundancy	6.065	5.061	6.225
CC(1/2)	0.999	0.998	0.867

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	287	Rigaku Reagents MCSG1 screen optimized around condition B8 (170 mM ammonium acetate, 25.6% w/v PEG4000, 15% v/v glycerol, 85 mM Tris-HCl/NaOH, pH 8.5) + 15 mg/mL PsaeA.18161.a.B1.PW38947, tray 323518 c9, direct cryoprotection, puck: mzv8-9