5J8L

Crystal structure of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with 1-deoxy L-tagatose, using a crystal grown in microgravity

Replaces:  4YVL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-09
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	52.580, 126.535, 98.903
Unit cell angles	90.00, 101.45, 90.00

Refinement procedure

Resolution	38.680 - 1.730
R-factor	0.197
Rwork	0.194
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qul
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.760
High resolution limit [Å]	1.730	4.700	1.730
Rmerge	0.075	0.050	0.467
Number of reflections	121443
<I/σ(I)>	10.2		2.2
Completeness [%]	92.1	94.6	93.3
Redundancy	2	2.2	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	4.6	293	15 % PEG4000, 0.1 M Sodium acetate