1QXX

CRYSTAL STRUCTURE OF THE C-TERMINAL DOMAIN OF TONB

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	2002-11-22
Detector	ADSC QUANTUM 4
Wavelength(s)	0.934000
Spacegroup name	P 64 2 2
Unit cell lengths	61.580, 61.580, 121.950
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.440 - 2.700
Rwork	0.267
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ihr
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.440	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.049	0.463
Number of reflections	4052
<I/σ(I)>	19.32	3.56
Completeness [%]	97.5	97.6
Redundancy	9.68	10.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	301	Sodium formiate, sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 301K