1T1R

Crystal Structure of the Reductoisomerase Complexed with a Bisphosphonate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	95
Detector technology	CCD
Collection date	2004-01-27
Detector	ADSC QUANTUM 4
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	182.381, 59.042, 86.978
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.000 - 2.300
Rwork	0.218
R-free	0.27000
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.400
High resolution limit [Å]	2.300	2.300
Number of reflections	37891
Completeness [%]	97.2	85.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	277	ammonium sulfate, potassium sodium tartrate, glycerol, sodium citrate, DTT, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K