3SXY

Metal-free full-length structure of Tm0439, a metal-binding FCD family transcriptional regulator

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	95
Detector technology	CCD
Collection date	2009-12-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	55.512, 69.822, 63.980
Unit cell angles	90.00, 95.44, 90.00

Refinement procedure

Resolution	34.650 - 1.647
R-factor	0.177
Rwork	0.177
R-free	0.17980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb: 3fms Chain A 6-211
RMSD bond length	0.023
RMSD bond angle	1.704
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (dev_817)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.000	43.000	1.740
High resolution limit [Å]	1.700	4.190	1.700
Rmerge	0.077	0.066	0.507
Number of reflections	56675
<I/σ(I)>	12.28
Completeness [%]	99.7	97.7	99.8
Redundancy	3.3	3.2	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	50 mM Tris pH 8.0, 300 mM NaCl, 17% PEG 3350, 200 mM NH4NO3, 10mM EDTA, 2mM DTT, vapor diffusion, sitting drop, temperature 298K