5ZKW

Crystal structure of DFA-IIIase from Arthrobacter chlorophenolicus A6 in complex with GF2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-07-30
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	116.121, 79.233, 140.571
Unit cell angles	90.00, 100.38, 90.00

Refinement procedure

Resolution	50.000 - 1.860
R-factor	0.16773
Rwork	0.166
R-free	0.19420
RMSD bond length	0.008
RMSD bond angle	1.366
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.890
High resolution limit [Å]	1.860	1.860
Number of reflections	209495
<I/σ(I)>	20.8
Completeness [%]	99.2
Redundancy	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		287	10% PEG 3350,0.1 M Sodium malonate (pH 4.2)