8ZP6

Crystal structure of Epoxide hydrolase MdEH (Mycobacterium dioxanotrophicus)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	H 3 2
Unit cell lengths	179.290, 179.290, 151.350
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.420 - 2.100
R-factor	0.240429651677
Rwork	0.240
R-free	0.25752
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.008
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.800	2.060
High resolution limit [Å]	2.010	2.010
Number of reflections	61853	61853
<I/σ(I)>	3.6
Completeness [%]	100.0
Redundancy	19.5
CC(1/2)	0.920	0.684

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289.15	Polyethylene glycol 3350, Ammonium sulfate, Bis-Tris