4J5N

Crystal Structure of a Deinococcus radiodurans PTE-like lactonase (drPLL) mutant Y28L/D71N/E101G/E179D/V235L/L270M

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9794
Spacegroup name	P 31 2 1
Unit cell lengths	61.655, 61.655, 203.670
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.050
Rwork	0.235
R-free	0.26090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fdk
RMSD bond length	0.012
RMSD bond angle	1.593
Data reduction software	XFIT
Data scaling software	HKL-2000
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.090
High resolution limit [Å]	2.050	2.050
Number of reflections	29424
<I/σ(I)>	36.5	7.8
Completeness [%]	100.0	100
Redundancy	18.4	19.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	2 uL of protein (~10 mg/mL) and 2 uL of well solution (0.1 M imidazole pH 8.0, 10% PEG 8000, 0.2 M Ca(OAc)2 ) were mixed and placed on a siliconized coverslip over 500 uL of the well solution. Cryo 14% EG, VAPOR DIFFUSION, HANGING DROP, temperature 295K