6J2L

Crystal structure of Bi-functional enzyme

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	2017-11-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	169.050, 45.230, 65.259
Unit cell angles	90.00, 112.53, 90.00

Refinement procedure

Resolution	40.751 - 2.170
R-factor	0.2064
Rwork	0.204
R-free	0.24850
RMSD bond length	0.009
RMSD bond angle	1.058
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.269
High resolution limit [Å]	2.170	2.170
<I/σ(I)>	17.9
Completeness [%]	93.6
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	0.1 M sodium acetate, pH 4.6, 1.8 M ammonium sulfate, 1% 1,2-butanediol.