6RBL

TETR(D) E147A MUTANT IN COMPLEX WITH DOXYCYCLINE AND MAGNESIUM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-18
Detector	RIGAKU SATURN 70
Wavelength(s)	1.5418
Spacegroup name	I 41 2 2
Unit cell lengths	68.300, 68.300, 179.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.170 - 1.900
R-factor	0.21242
Rwork	0.209
R-free	0.24640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fpl
RMSD bond length	0.012
RMSD bond angle	1.772
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.170	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.099	0.371
Number of reflections	17126	1617
<I/σ(I)>	12.3	1.9
Completeness [%]	99.4	98.2
Redundancy	7.1	4.29

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	Precipitant: 2.0M (NH4)2SO4, 3% PEG 400, 0.1M MES pH 6.5, Protein: 0.1mL protein, 0.1,L 2mM doxyTc, 0.001mL 3M MgCl2, 100mM NaCl, 50mM Tris pH8.0, 1/3 protein/precipitant