8IOF

Crystal structure of N-methyl-Cis-4-hydroxy-D-proline dehydratase in Clostridium sp. FS41

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 1
Unit cell lengths	78.967, 103.603, 114.254
Unit cell angles	83.13, 75.71, 79.84

Refinement procedure

Resolution	39.427 - 2.330
R-factor	0.1912
Rwork	0.190
R-free	0.26560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.957
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3247: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.490	2.390
High resolution limit [Å]	2.330	2.330
Rmerge		1.261
Rmeas		0.990
Rpim		0.896
Number of reflections	144785	10653
<I/σ(I)>	2.8
Completeness [%]	98.4
Redundancy	3.3	2.9
CC(1/2)	0.750	0.246

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.2 M sodium acetate, 0.1 M Bis-Tris propane, pH 6.5, 16% (w/v) PEG3350, 100 mM cis-N-Methyl-4-hydroxy-D-proline