1Q3R

Crystal structure of the chaperonin from Thermococcus strain KS-1 (nucleotide-free form of single mutant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	90
Detector technology	CCD
Detector	MARRESEARCH
Wavelength(s)	0.900
Spacegroup name	P 4 21 2
Unit cell lengths	210.058, 210.058, 157.173
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	93.900 * - 2.900
R-factor	0.212
Rwork	0.212
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q2v
RMSD bond length	0.007
RMSD bond angle	21.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000 *
High resolution limit [Å]	2.900	2.900
Rmerge	0.095 *	0.178 *
Total number of observations	425665 *
Number of reflections	74163 *
<I/σ(I)>	12.8	3.5
Completeness [%]	95.0	92
Redundancy	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8	20 *	ammonium sulfate, potassium chloride, Tris , pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15-20 (mg/ml)
2	1	reservoir	Tris	100 (mM)	pH8.0
3	1	reservoir	ammonium sulfate	2.1 (M)
4	1	reservoir		50 (mM)