4R1O

Crystal Structure of Thermophilic Geobacillus kaustophilus L-Arabinose isomerase

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	2013-11-16
Detector	ADSC QUANTUM 270
Wavelength(s)	1.00150
Spacegroup name	P 21 21 21
Unit cell lengths	116.725, 140.746, 215.818
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.323 - 2.401
R-factor	0.1669
Rwork	0.164
R-free	0.21580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	GKAI with MN
RMSD bond length	0.007
RMSD bond angle	1.091
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.115	0.458
Number of reflections	133329
<I/σ(I)>	14.091	3.746
Completeness [%]	96.2	94.1
Redundancy	7.4	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	1.8M Na-K phosphate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K