4CF3

Mutagenesis of a Rhodobacteraceae L-haloacid dehalogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	287
Spacegroup name	P 21 21 21
Unit cell lengths	43.170, 68.270, 283.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.860 - 2.160
R-factor	0.18579
Rwork	0.182
R-free	0.25367
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yml
RMSD bond length	0.010
RMSD bond angle	1.510
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.860	2.160
High resolution limit [Å]	2.160	2.160
Rmerge	0.090	0.620
Number of reflections	46129
<I/σ(I)>	12.4	2.5
Completeness [%]	99.9	2.2
Redundancy	6	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8		pH 8