5ZL5

Crystal structure of DFA-IIIase mutant C387A from Arthrobacter chlorophenolicus A6

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	116.296, 79.530, 140.974
Unit cell angles	90.00, 100.54, 90.00

Refinement procedure

Resolution	50.000 - 1.650
R-factor	0.13359
Rwork	0.132
R-free	0.17295
RMSD bond length	0.009
RMSD bond angle	1.455
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	1.680
High resolution limit [Å]	1.650	1.650
Number of reflections	290222
<I/σ(I)>	14.7
Completeness [%]	96.2
Redundancy	5.8

Crystallization Conditions

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