9N2W

Dienelactone hydrolase family protein SaDLH from Solimonas aquatica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-15
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9762
Spacegroup name	P 1 21 1
Unit cell lengths	53.446, 76.408, 72.459
Unit cell angles	90.00, 107.77, 90.00

Refinement procedure

Resolution	69.000 - 1.900
R-factor	0.2457
Rwork	0.243
R-free	0.29810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.148
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.000	1.968
High resolution limit [Å]	1.900	1.900
Rmerge	0.043
Number of reflections	41834	4118
<I/σ(I)>	7.1
Completeness [%]	95.5
Redundancy	1.9
CC(1/2)	0.996	0.924

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.1 M HEPES 7.5 pH (Buffer) 4.3 M NaCl (Precipitant)