1I7F

CRYSTAL STRUCTURE OF THE HSP33 DOMAIN WITH CONSTITUTIVE CHAPERONE ACTIVITY

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	93
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9879
Spacegroup name	P 65 2 2
Unit cell lengths	77.293, 77.293, 193.893
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	99.000 - 2.700
R-factor	0.222 *
Rwork	0.222
R-free	0.29000
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	24.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000
High resolution limit [Å]	2.700
Rmerge	0.066	0.348 *
Total number of observations	75273 *
Number of reflections	10156
<I/σ(I)>	11.1
Completeness [%]	99.4	97.1 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	25 *	PEG 8K, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	16-18 (mg/ml)
2	1	reservoir	PEG8000	27-28 (%(w/v))
3	1	reservoir	HEPES-NaOH	0.1 (M)
4	1	reservoir	ammonium sulfate	0.2 (M)