7CXO

Crystal structure of Arabinose isomerase from hybrid AI10

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 2 2 21
Unit cell lengths	148.476, 258.575, 165.734
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.890 - 3.200
R-factor	0.1802
Rwork	0.176
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ajt
RMSD bond length	0.006
RMSD bond angle	1.304
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	3.260
High resolution limit [Å]	3.200	8.670	3.200
Rmerge	0.187	0.063	0.975
Rmeas	0.197	0.067	1.031
Rpim	0.062	0.021	0.328
Number of reflections	54358	2845	2690
<I/σ(I)>	3.1
Completeness [%]	99.8	98	99.9
Redundancy	9.5	9.3	9.2
CC(1/2)		0.999	0.665

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	30% (v/v) Polyethylene glycol 400, 100mM Sodium cacodylate/ Hydrochloric acid pH 6.5, 200mM Lithium sulfate