4U2C

Crystal structure of dienelactone hydrolase A-6 variant (S7T, A24V, Q35H, F38L, Q110L, C123S, Y145C, E199G and S208G) at 1.95 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-09-27
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	48.594, 70.445, 74.089
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.050 - 1.950
R-factor	0.18105
Rwork	0.179
R-free	0.21456
RMSD bond length	0.013
RMSD bond angle	1.489
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]	1.950
Number of reflections	19198
<I/σ(I)>	24.3
Completeness [%]	99.0
Redundancy	6.6

Crystallization Conditions

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