4U2F

Crystal structure of dienelactone hydrolase B-1 variant (Q35H, F38L, Y64H, Q110L, C123S, Y137C, Y145C, N154D, E199G, S208G and G211D) 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	2013-07-24
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	48.934, 70.295, 74.264
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.050 - 1.800
R-factor	0.19183
Rwork	0.190
R-free	0.21755
RMSD bond length	0.015
RMSD bond angle	1.571
Data scaling software	HKL-2000
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall
Low resolution limit [Å]	51.050
High resolution limit [Å]	1.800
Number of reflections	27036
<I/σ(I)>	20.7
Completeness [%]	98.3
Redundancy	6

Crystallization Conditions

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