7CWV

Crystal structure of Arabinose isomerase from hyper thermophilic bacterium Thermotoga maritima (TMAI) wt

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	P 1
Unit cell lengths	85.971, 109.429, 153.854
Unit cell angles	98.14, 98.18, 89.97

Refinement procedure

Resolution	49.740 - 3.530
R-factor	0.2273
Rwork	0.222
R-free	0.33210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ajt
RMSD bond length	0.006
RMSD bond angle	1.387
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	3.590
High resolution limit [Å]	3.530	9.560	3.530
Rmerge	0.186	0.065	0.786
Rmeas	0.220	0.076	0.938
Rpim	0.115	0.039	0.507
Total number of observations	216134
Number of reflections	62046	3107	3044
<I/σ(I)>	2.8
Completeness [%]	91.9	92	88.9
Redundancy	3.5	3.7	3.2
CC(1/2)		0.993	0.968

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2%(v/v) Tacsimate pH 8.0, 16% w/v Polyethylene glycol 3350, 100mM Tris pH 8.5, 16% Glycerol