2FSH

Complex SecA:AMP-PNP 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	75.020, 90.010, 163.020
Unit cell angles	90.00, 100.52, 90.00

Refinement procedure

Resolution	19.970 - 2.000
Rwork	0.204
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fsg
RMSD bond length	0.026
RMSD bond angle	2.074
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]	20.000		2.100
High resolution limit [Å]	2.000	6.000	2.000
Rmerge	0.051	0.040	0.331
Number of reflections	130193	4076	11995
<I/σ(I)>	11.11	23.5	2.3
Completeness [%]	90.5	95	61.5
Redundancy	2.34		1.74

Crystallization Conditions

crystal ID	method	pH	temperature	details
1