1Q6H

Crystal structure of a truncated form of FkpA from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	110
Detector technology	CCD
Collection date	2001-11-22
Detector	MARRESEARCH
Wavelength(s)	0.97880
Spacegroup name	P 21 21 21
Unit cell lengths	37.030, 85.230, 160.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.000 - 1.970
R-factor	0.18383
Rwork	0.182
R-free	0.22900 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	FkpA (C-domain 95-226)
RMSD bond length	0.013
RMSD bond angle	1.360 *
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.000	2.080
High resolution limit [Å]	1.970	1.970
Rmerge	0.056 *	0.206 *
Number of reflections	31307	3298 *
<I/σ(I)>	9.7	3.4
Completeness [%]	84.6	74.2
Redundancy	9.9	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6.5 *	23 *	PEG 2000, sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Jeffamine M600	30 (%(w/v))
2	1	reservoir	MES	0.1 (M)	pH6.5
3	1	reservoir		0.05 (M)
4	1	drop	protein	4.4 (mg/ml)