6RCR

TETR(D) H100A 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	2007-04-19
Detector	RIGAKU SATURN 70
Wavelength(s)	1.5418
Spacegroup name	I 41 2 2
Unit cell lengths	68.291, 68.291, 179.612
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.940 - 2.050
R-factor	0.20823
Rwork	0.204
R-free	0.25665
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rbl
RMSD bond length	0.011
RMSD bond angle	1.689
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]	32.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.070	0.430
Number of reflections	14238	1128
<I/σ(I)>	21.6	1.9
Completeness [%]	98.7	92.8
Redundancy	10.44	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	precipitant: 0.5M (NH4)2SO4, 1.0M Li2SO4, 0.1 M MES pH 6.5, protein: 0.050mL protein(10mg/mL), 0.050mL 2mM doxyTc, 0.0005mL 3M MgCl2, 100mM NaCl, 50mM Tris pH 8.0, 371 protein/precipitant