3A9C

Crystal structure of ribose-1,5-bisphosphate isomerase from Thermococcus kodakaraensis KOD1 in complex with ribulose-1,5-bisphosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	95
Detector technology	CCD
Collection date	2008-12-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	117.313, 130.615, 132.672
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.640 - 2.600
R-factor	0.201
Rwork	0.201
R-free	0.25500
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3a11
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS (1.2)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	63161
<I/σ(I)>	23.8	4.6
Completeness [%]	99.9	100
Redundancy	7.2	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.4	293	20% PEG 1000, 0.2M Magnesium Chloride, 0.1M MES-NaOH pH 6.4 , VAPOR DIFFUSION, SITTING DROP, temperature 293K