3SXK

Zn2+-bound FCD domain of TM0439, a putative transcriptional regulator

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	95
Detector technology	CCD
Collection date	2010-04-20
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97740
Spacegroup name	P 1 21 1
Unit cell lengths	45.697, 79.977, 49.223
Unit cell angles	90.00, 115.08, 90.00

Refinement procedure

Resolution	39.922 - 1.630
R-factor	0.1707
Rwork	0.170
R-free	0.19230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB: 3FMS Chain A: 72-211
RMSD bond length	0.029
RMSD bond angle	1.762
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]	45.000	45.000	1.660
High resolution limit [Å]	1.630	4.420	1.630
Rmerge	0.041	0.027	0.181
Number of reflections	38096
<I/σ(I)>	26.1
Completeness [%]	95.3	98.5	65.7
Redundancy	4.1	4.1	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	50 mM Tris pH 8.0, 100 mM NaCl, 200 mM (NH4)2SO4, 100 mM BisTris pH 5.5, 25% PEG 3350, 0.1 mM ZnCl2, 2 mM DTT , VAPOR DIFFUSION, SITTING DROP, temperature 277K