2RC5

Refined structure of FNR from Leptospira interrogans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-01-01
Detector	MAR CCD 165 mm
Wavelength(s)	1.42
Spacegroup name	P 1 21 1
Unit cell lengths	65.112, 111.832, 89.913
Unit cell angles	90.00, 92.76, 90.00

Refinement procedure

Resolution	44.904 - 2.431
Rwork	0.225
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	89.809	56.250	2.550
High resolution limit [Å]	2.430	7.660	2.420
Rmerge	0.049	0.033	0.144
Total number of observations		4419	16067
Number of reflections	47770
<I/σ(I)>	5.9	14	2.3
Completeness [%]	97.5	95.9	88.5
Redundancy	2.8	2.9	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	291	27% PEG3350, 0.3M ammonium fluoride, 50mM Tris-HCL buffer, pH 7.0, vapor diffusion, temperature 291K