7CYY

Crystal structure of Arabinose isomerase from hybrid AI8 with Adonitol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	193
Detector technology	PIXEL
Collection date	2020-07-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97942
Spacegroup name	C 1 2 1
Unit cell lengths	205.582, 82.120, 192.726
Unit cell angles	90.00, 117.93, 90.00

Refinement procedure

Resolution	48.180 - 2.600
R-factor	0.1903
Rwork	0.186
R-free	0.26130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ajt
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.580	7.050	2.600
Rmerge	0.195	0.106	0.997
Rmeas	0.212	0.116	1.090
Rpim	0.081	0.046	0.434
Number of reflections	88026	4558	4409
<I/σ(I)>	3.3
Completeness [%]	99.0	98.9	98.7
Redundancy	6.7	6.4	6.1
CC(1/2)		0.991	0.636

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	35% (v/v) MPD, 100mM Imidazole/ Hydrochloric acid pH 8.0, 200mM Magnesium chloride