3A9S

X-ray Structure of Bacillus pallidus D-Arabinose Isomerase Complex with Glycerol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-03-09
Detector	ADSC QUANTUM 4r
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	144.317, 127.271, 110.315
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.700 - 1.600
R-factor	0.168
Rwork	0.168
R-free	0.18700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fui
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.051	0.318
Number of reflections	267379
<I/σ(I)>	17.9	4.3
Completeness [%]	97.1	92.9
Redundancy	6.3	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	100mM citrate buffer pH 6.0, 20% (w/v) PEG 3000, 90mM potassium sodium tartrate. , VAPOR DIFFUSION, HANGING DROP, temperature 293K