4U2B

Crystal structure of dienelactone hydrolase (C123S) at 1.70 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-07-24
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	48.233, 70.969, 77.221
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.250 - 1.700
R-factor	0.17433
Rwork	0.173
R-free	0.19752
RMSD bond length	0.012
RMSD bond angle	1.437
Data scaling software	HKL-2000
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall
Low resolution limit [Å]	52.250
High resolution limit [Å]	1.700
Number of reflections	29186
<I/σ(I)>	15.7
Completeness [%]	97.7
Redundancy	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	277	sodium citrate, ammonium sulphate