4U2D

Crystal structure of dienelactone hydrolase S-2 variant (Q35H, F38L, Q110L, C123S, Y137C, Y145C, N154D, E199G, S208G and G211D) at 1.67 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-07-17
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	48.872, 70.166, 74.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.150 - 1.670
R-factor	0.17266
Rwork	0.172
R-free	0.19024
RMSD bond length	0.013
RMSD bond angle	1.505
Data scaling software	HKL-2000
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall
Low resolution limit [Å]	74.150
High resolution limit [Å]	1.670
Number of reflections	30071
<I/σ(I)>	24.5
Completeness [%]	99.1
Redundancy	6

Crystallization Conditions

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