3VNJ

Crystal structures of D-Psicose 3-epimerase with D-psicose from Clostridium cellulolyticum H10

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	79.883, 115.499, 91.577
Unit cell angles	90.00, 105.16, 90.00

Refinement procedure

Resolution	25.000 - 2.080
Rwork	0.182
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vni
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.150
High resolution limit [Å]	2.080	2.080
Number of reflections	93519
<I/σ(I)>	25.3	25.26
Completeness [%]	100.0	96.6
Redundancy		3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	298	0.2M tri-sodium citrate dehydrate, 17-20% Polyethylene Glycol 3350, pH 8.2, VAPOR DIFFUSION, SITTING DROP, temperature 298K