1SHS

SMALL HEAT SHOCK PROTEIN FROM METHANOCOCCUS JANNASCHII

Experimental procedure

Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	1997-11
Detector	BRANDEIS
Spacegroup name	H 3
Unit cell lengths	171.440, 171.440, 101.980
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 2.900
R-factor	0.216
Rwork	0.216
R-free	0.25100
Structure solution method	SIR + NCS AVERAGING
RMSD bond length	0.012
RMSD bond angle	32.030 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.85)
Refinement software	X-PLOR (3.85)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.037	0.431
Number of reflections	24757
<I/σ(I)>	22.6	5.9
Completeness [%]	99.7	99.8
Redundancy	3.9	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.7		Kim, K.K., (1998) J.Struct.Biol., 121, 76. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	40 (mg/ml)
2	1	drop	sodium acetate	0.2-0.3 (M)
3	1	drop	MPD	25-30 (%)
4	1	drop		0.02 (M)