1Q6U

Crystal structure of FkpA from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	110
Detector technology	CCD
Collection date	2001-04-09
Detector	MARRESEARCH
Wavelength(s)	0.934
Spacegroup name	C 2 2 21
Unit cell lengths	115.180, 132.750, 41.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.450
R-factor	0.21391
Rwork	0.211
R-free	0.27700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fd9
RMSD bond length	0.018
RMSD bond angle	1.700 *
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]	30.000	2.580
High resolution limit [Å]	2.450	2.450
Rmerge	0.081 *	0.394 *
Number of reflections	12110	1695 *
<I/σ(I)>	7.5	1.8
Completeness [%]	99.2 *	99.2
Redundancy	6.2	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.5 *	17 *	MES, jeffamine M600, CsCl, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 296K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG2000	30 (%(v/v))
2	1	reservoir	sodium acetate	0.1 (M)	pH4.5
3	1	drop	protein	3.1 (mg/ml)