6R76

Crystal structure of trans-3-Hydroxy-L-proline dehydratase from Thermococcus litoralis - open conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979163
Spacegroup name	P 1 21 1
Unit cell lengths	109.923, 46.090, 143.512
Unit cell angles	90.00, 110.48, 90.00

Refinement procedure

Resolution	44.800 - 2.400
R-factor	0.208
Rwork	0.205
R-free	0.26450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w61
RMSD bond length	0.010
RMSD bond angle	1.386
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.800	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.063	0.410
Number of reflections	53298	5281
<I/σ(I)>	7.6
Completeness [%]	99.3
Redundancy	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M Magnesium formate, 15% PEG3350