3SXZ

Metal-free FCD domain of TM0439 a putative transcriptional regulator

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	CCD
Collection date	2009-09-03
Detector	RIGAKU SATURN 92
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	80.890, 80.890, 91.739
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.838 - 2.322
R-factor	0.1989
Rwork	0.197
R-free	0.22770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb: 3fms Chain A 72-211
RMSD bond length	0.010
RMSD bond angle	1.081
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]	42.000	42.000	2.360
High resolution limit [Å]	2.320	6.290	2.320
Rmerge	0.091	0.049	0.533
Number of reflections	15441
<I/σ(I)>	14.8
Completeness [%]	99.8	98.6	98.4
Redundancy	6.4	5.8	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	50 mM Tris pH 8.0, 100 mM NaCl, 1M tri-sodium citrate, 0.1M sodium cacodylate pH 6.5, 10 mM EDTA, 2 mM DTT, VAPOR DIFFUSION, SITTING DROP, temperature 298K