4R1Q

Crystal Structure of Thermophilic Geobacillus kaustophilus L-Arabinose isomerase in complex with L-arabitol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000001
Spacegroup name	P 21 21 21
Unit cell lengths	118.514, 146.263, 215.677
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.079 - 2.248
R-factor	0.1562
Rwork	0.154
R-free	0.20120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4r1p
RMSD bond length	0.008
RMSD bond angle	1.074
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	2.290
High resolution limit [Å]	2.248	2.250
Rmerge	0.112	0.459
Number of reflections	174510
<I/σ(I)>	20.576	5.286
Completeness [%]	99.2	99.4
Redundancy	12.1	11.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	293	1.8M Na-K phosphate, 4% acetone, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K