5ZKY

Crystal structure of DFA-IIIase from Arthrobacter chlorophenolicus A6 without its lid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97914
Spacegroup name	I 21 3
Unit cell lengths	187.463, 187.463, 187.463
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.14633
Rwork	0.145
R-free	0.16482
RMSD bond length	0.009
RMSD bond angle	1.453
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	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	63519
<I/σ(I)>	12.4
Completeness [%]	100.0
Redundancy	7.2

Crystallization Conditions

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