7JKA

Dienelactone hydrolase family protein m3DLH from Halieaceae bacterium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	80
Detector technology	PIXEL
Collection date	2019-12-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	C 1 2 1
Unit cell lengths	78.445, 43.680, 59.645
Unit cell angles	90.00, 92.71, 90.00

Refinement procedure

Resolution	24.270 - 1.530
R-factor	0.1657
Rwork	0.164
R-free	0.20140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f67
RMSD bond length	0.008
RMSD bond angle	0.975
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.270	1.580
High resolution limit [Å]	1.530	1.530
Rmerge	0.114	0.526
Number of reflections	29979	2912
<I/σ(I)>	9.53	2.13
Completeness [%]	98.4
Redundancy	6.7
CC(1/2)	0.990	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M Na3 Cit 5.6 pH (Buffer) 30 %w/v PEG 4K (Precipitant) 0.2 M NH4 Acet (Salt)