5YKB

The N253F mutant structure of trehalose synthase from Deinococcus radiodurans reveals an open active-site conformation

Replaces:  5GTV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	110
Detector technology	CCD
Collection date	2014-05-10
Detector	RAYONIX MX300HE
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	100.401, 132.422, 196.013
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.760
R-factor	0.1949
Rwork	0.192
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tvu
RMSD bond length	0.009
RMSD bond angle	1.298
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	HKL-2000
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.860
High resolution limit [Å]	2.760	2.760
Number of reflections	67645	6642
<I/σ(I)>	12.3	1.8
Completeness [%]	99.9	99.3
Redundancy	4.5	4.4
CC(1/2)	0.993	0.606

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	288	7% PEG 4000, 0.2M sodium acetate trihydrate, 0.3M Tris-HCl (pH 7.0)