8HM5

Epoxide hydrolase from Caballeronia sordidicola PAMC 26510

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	2020-08-05
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	43.470, 81.210, 79.830
Unit cell angles	90.00, 93.11, 90.00

Refinement procedure

Resolution	43.410 - 2.430
R-factor	0.1728
Rwork	0.171
R-free	0.21730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.224
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.210	2.560
High resolution limit [Å]	2.430	2.430
Rmerge	0.070	0.177
Number of reflections	20365	2022
<I/σ(I)>	10.5	6.1
Completeness [%]	97.7
Redundancy	4.5
CC(1/2)	0.993	0.968

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	0.2 M magnesium formate and 20% (w/v) PEG 3350