3VM6

Crystal structure of ribose-1,5-bisphosphate isomerase from Thermococcus kodakarensis KOD1 in complex with alpha-D-ribose-1,5-bisphosphate

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]	95
Detector technology	CCD
Collection date	2010-01-24
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0000
Spacegroup name	P 41 21 2
Unit cell lengths	146.537, 146.537, 99.649
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.970 - 2.850
R-factor	0.201
Rwork	0.201
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a11
RMSD bond length	0.009
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.950
High resolution limit [Å]	2.850	2.850
Number of reflections	26012
<I/σ(I)>	20.1	5.6
Completeness [%]	100.0	100
Redundancy	14.5	14.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.4	293	19% PEG 1000, 0.2M Magnesium Chloride, 0.1M MES-NaOH pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K