1PV2

Native Form 2 E.coli Chaperone Hsp31

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-01-13
Wavelength(s)	1.77
Spacegroup name	P 1
Unit cell lengths	54.487, 99.018, 116.795
Unit cell angles	102.95, 101.52, 94.19

Refinement procedure

Resolution	20.000 * - 2.700 *
R-factor	0.22469
Rwork	0.221
R-free	0.28700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n57
RMSD bond length	0.004
RMSD bond angle	0.793 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.800	2.800
High resolution limit [Å]	2.700 *	2.700
Rmerge	0.075	0.339
Number of reflections	60105 *
<I/σ(I)>	9.4	2
Completeness [%]	96.1 *	94.1 *
Redundancy	1.9	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.4 *	295	26% PEG 6000,50mM NaCl,100 mM Tris pH 7.5.5G, VAPOR DIFFUSION, SITTING DROP, temperature 22K, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)	pH7.4
3	1	drop		100 (mM)
4	1	drop	EDTA	1 (mM)
5	1	drop	dithiothreitol	4 (mM)
6	1	reservoir	PEG6000	26 (%)
7	1	reservoir		50 (mM)
8	1	reservoir	Tris	100 (mM)	pH7.5