2YMQ

Chloropropionic acid complex bound L-haloacid dehalogenase from a Rhodobacteraceae family bacterium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	42.760, 68.880, 157.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.260 - 1.720
R-factor	0.16433
Rwork	0.163
R-free	0.19692
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yml
RMSD bond length	0.010
RMSD bond angle	1.461
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.260	1.760
High resolution limit [Å]	1.720	1.720
Rmerge	0.070	0.670
Number of reflections	50646
<I/σ(I)>	0.67	3.7
Completeness [%]	99.9	99.9
Redundancy	10.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1