3ENQ

Substrate and inhibitor complexes of ribose 5-phosphate isomerase A from Vibrio vulnificus YJ016

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 210
Wavelength(s)	1
Spacegroup name	H 3
Unit cell lengths	77.094, 77.094, 189.995
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.000
R-factor	0.22203
Rwork	0.219
R-free	0.27280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1o8b
RMSD bond length	0.024
RMSD bond angle	2.080
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.540
High resolution limit [Å]	1.490	1.490
Number of reflections	68818
<I/σ(I)>	8.8
Completeness [%]	99.6
Redundancy	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	8% PEG 4000, 0.05M succinate pH4.0, 0.18M ammonium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K