2IBM

A novel dimer interface and conformational changes revealed by an X-ray structure of B. subtilis SecA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2005-05-01
Detector	SBC-2
Spacegroup name	I 21 21 21
Unit cell lengths	125.834, 166.833, 211.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.530 - 3.200
R-factor	0.321
Rwork	0.321
R-free	0.32300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m6n
RMSD bond length	0.013
RMSD bond angle	1.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000
High resolution limit [Å]	3.200	3.200
Number of reflections	39088
<I/σ(I)>	5.8	2.7
Completeness [%]	92.7	92.7
Redundancy	4.5	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	301	1.8 M malonate, pH 6.8, VAPOR DIFFUSION, SITTING DROP, temperature 301K
1	VAPOR DIFFUSION, SITTING DROP	6.8	301	1.8 M malonate, pH 6.8, VAPOR DIFFUSION, SITTING DROP, temperature 301K
1	VAPOR DIFFUSION, SITTING DROP	6.8	301	1.8 M malonate, pH 6.8, VAPOR DIFFUSION, SITTING DROP, temperature 301K