1N1C

Crystal Structure Of The Dimeric TorD Chaperone From Shewanella Massilia

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	CCD
Collection date	2000-08-21
Detector	MARRESEARCH
Wavelength(s)	0.97856, 0.95370, 0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	65.958, 93.441, 95.136
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.960 - 2.400
R-factor	0.224
Rwork	0.224
R-free	0.25500
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	19.700 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.230 *	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.033	0.177
Total number of observations	85570 *
Number of reflections	23239
<I/σ(I)>	14	3.6
Completeness [%]	98.7	98.9
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	4 *	ammonium sulfate 1.6M, MES 100mM; Crystals were obtained by mixing 1 microl (1.2mg.ml-1) of protein solution with an equal volume of reservoir solution; Crystal Size (300x200x100 microM3), pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	1.2 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)	pH8.0
3	1	drop		240 (mM)
4	1	drop	dithiothreitol	10 (mM)
5	1	reservoir	ammonium sulfate	1.7 (M)
6	1	reservoir	MES	100 (mM)	pH6.6