2YMM

Sulfate bound L-haloacid dehalogenase from a Rhodobacteraceae family bacterium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	42.780, 68.550, 283.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.470 - 1.640
R-factor	0.1651
Rwork	0.163
R-free	0.20502
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yml
RMSD bond length	0.010
RMSD bond angle	1.420
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.340	1.680
High resolution limit [Å]	1.640	1.640
Rmerge	0.080	0.830
Number of reflections	97923
<I/σ(I)>	18.2	3.4
Completeness [%]	99.9	99.8
Redundancy	12.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1