4R1P

Crystal Structure of Thermophilic Geobacillus kaustophilus L-Arabinose isomerase with Mn2+

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	2013-05-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97951
Spacegroup name	C 1 2 1
Unit cell lengths	223.659, 153.120, 91.239
Unit cell angles	90.00, 103.85, 90.00

Refinement procedure

Resolution	43.694 - 2.297
R-factor	0.1584
Rwork	0.155
R-free	0.21220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ajt
RMSD bond length	0.008
RMSD bond angle	1.094
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	2.340
High resolution limit [Å]	2.297	2.300
Rmerge	0.144	0.833
Number of reflections	131054
<I/σ(I)>	18.333	2.818
Completeness [%]	99.5	99.1
Redundancy	4.8	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.1M imidazole hydrochloric acid, 1M sodium citrate tribasic, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K