5H1W

Crystal Structure of Hyperthermophilic Thermotoga maritima L-Ketose-3-Epimerase with Mn2+ and L(+)-Erythrulose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-10
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97933
Spacegroup name	P 1
Unit cell lengths	50.238, 55.411, 59.004
Unit cell angles	107.48, 102.14, 91.70

Refinement procedure

Resolution	24.510 - 1.631
R-factor	0.1617
Rwork	0.161
R-free	0.18090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5JTX
RMSD bond length	0.009
RMSD bond angle	1.264
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.660
High resolution limit [Å]	1.600	1.630
Number of reflections	70454
<I/σ(I)>	37.01	7.46
Completeness [%]	95.6	74.4
Redundancy	3.9	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	100 mM MES, 5%(w/w) PEG1000, 20%(v/v) PEG200