5ZLA

Crystal structure of mutant C387A of DFA-IIIase from Arthrobacter chlorophenolicus A6 in complex with DFA-III

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	P 1 21 1
Unit cell lengths	116.408, 79.437, 141.009
Unit cell angles	90.00, 100.62, 90.00

Refinement procedure

Resolution	50.000 - 1.700
R-factor	0.1336
Rwork	0.131
R-free	0.17400
RMSD bond length	0.008
RMSD bond angle	1.416
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	263544
<I/σ(I)>	16.6
Completeness [%]	95.0
Redundancy	6.7

Crystallization Conditions

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