7CX7

Crystal structure of Arabinose isomerase from hybrid AI8

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	204.591, 81.907, 192.001
Unit cell angles	90.00, 117.90, 90.00

Refinement procedure

Resolution	48.590 - 2.490
R-factor	0.1957
Rwork	0.192
R-free	0.26770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ajt
RMSD bond length	0.009
RMSD bond angle	1.540
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.490	6.780	2.500
Rmerge	0.121	0.042	0.851
Rmeas	0.131	0.046	0.924
Rpim	0.050	0.018	0.356
Number of reflections	97080	5033	4776
<I/σ(I)>	4
Completeness [%]	99.2	99	99.5
Redundancy	6.7	6.7	6.6
CC(1/2)		0.998	0.722

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