7CH3

Crystal structure of Arabinose isomerase from hyper thermophilic bacterium Thermotoga maritima (TMAI) triple mutant (K264A, E265A, K266A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-23
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97933
Spacegroup name	P 1
Unit cell lengths	87.424, 113.913, 160.833
Unit cell angles	81.08, 81.15, 88.89

Refinement procedure

Resolution	33.110 - 3.610
R-factor	0.2341
Rwork	0.232
R-free	0.27990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hxg
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	3.660
High resolution limit [Å]	3.600	9.750	3.600
Rmerge	0.087	0.022	0.486
Rmeas	0.102	0.026	0.571
Rpim	0.053	0.014	0.297
Total number of observations	252359
Number of reflections	68198	3179	3369
<I/σ(I)>	9
Completeness [%]	98.6	92.1	97.3
Redundancy	3.7	3.2	3.6
CC(1/2)		0.989	0.632

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		310	100mM Tris pH 8.5, 2% Tacismate pH 8, 15% PEG 3350