4U2G

Crystal structure of dienelactone hydrolase B-4 variant (Q35H, F38L, Y64H, Q76L, Q110L, C123S, Y137C, A141V, Y145C, N154D, E199G, S208G, G211D, S233G and 237Q) at 1.80 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-06-19
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	48.796, 70.106, 73.806
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.830 - 1.800
R-factor	0.18832
Rwork	0.186
R-free	0.22512
RMSD bond length	0.012
RMSD bond angle	1.407
Data scaling software	HKL-2000
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.830
High resolution limit [Å]	1.800
Number of reflections	23722
<I/σ(I)>	26.1
Completeness [%]	98.2
Redundancy	4.4

Crystallization Conditions

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