4CE6

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	43.094, 68.875, 157.178
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.790 - 2.050
R-factor	0.19732
Rwork	0.194
R-free	0.25309
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yml
RMSD bond length	0.009
RMSD bond angle	1.272
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.790	2.140
High resolution limit [Å]	2.050	2.050
Rmerge	0.070	0.480
Number of reflections	30452
<I/σ(I)>	12.5	2.6
Completeness [%]	99.9	99.8
Redundancy	5.5	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8		0.2 M LICL, 0.1 M TRIS-HCL, 20% PEG 6000 PH 8.0