6RGX

TETR(D) N82A 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	2011-08-05
Detector	RIGAKU SATURN 70
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	68.378, 68.378, 180.008
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.980 - 1.800
R-factor	0.21075
Rwork	0.209
R-free	0.24309
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fkk
RMSD bond length	0.013
RMSD bond angle	1.797
Data reduction software	CrystalClear
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.940	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.142	0.935
Rmeas	0.149	1.052
Rpim	0.043	0.467
Number of reflections	40487	5722
<I/σ(I)>	10.6	2.1
Completeness [%]	99.8	98.9
Redundancy	10.8	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	precipitant: 0.1 M HEPES pH 7.5, 1.75M (NH4)2SO4, 5% PEG 400, 0.2M NaCl, protein: 0.1mL protein, 0.3mL 2mM doxyTc, 0.001mL 3M MgCl2, 100mM NaCl, 50mM Tris, pH 8.0, Protein/precipitant 2/2