8CKP

X-ray structure of the crystallization-prone form of subfamily III haloalkane dehalogenase DhmeA from Haloferax mediterranei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-12
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.9999
Spacegroup name	C 2 2 21
Unit cell lengths	172.760, 289.900, 168.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.470 - 3.310
R-factor	0.2379
Rwork	0.236
R-free	0.27480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.692
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.470	3.424
High resolution limit [Å]	3.306	3.306
Number of reflections	63328	6044
<I/σ(I)>	10.76
Completeness [%]	99.5
Redundancy	70.3
CC(1/2)	0.999	0.241

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	PEG 4000, MES/Imidazole buffer system, amino acids