2FSI

Complex SecA:ADP from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2003-08-03
Detector	ADSC QUANTUM 4
Wavelength(s)	0.976200
Spacegroup name	P 1 21 1
Unit cell lengths	75.560, 90.430, 163.290
Unit cell angles	90.00, 100.82, 90.00

Refinement procedure

Resolution	19.850 - 2.110
Rwork	0.203
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fsf
RMSD bond length	0.030
RMSD bond angle	2.279
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.850		2.240
High resolution limit [Å]	2.110	4.430	2.110
Rmerge	0.039	0.029	0.220
Number of reflections	112860	8451	10256
<I/σ(I)>	11.66	23.2	3.1
Completeness [%]	90.6	98.2	51.3
Redundancy	1.86		1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1