6RBM

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-07
Detector	RAYONIX MX-225
Wavelength(s)	0.95000
Spacegroup name	I 41 2 2
Unit cell lengths	67.670, 67.670, 178.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.900 - 2.050
R-factor	0.21553
Rwork	0.211
R-free	0.26329
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fpl
RMSD bond length	0.013
RMSD bond angle	1.840
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.300	2.170
High resolution limit [Å]	2.050	2.050
Rmeas	0.053	1.090
Number of reflections	13397	2117
<I/σ(I)>	22.74	2.46
Completeness [%]	99.1	99.5
Redundancy	7.1	7.15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	precipitant: 0.5M (NH4)2SO4, 0.68M Li2SO4, 0.1M Na-citrate, protein: 0.1mL protein, 0.1mL 2mM minoTc, 0.0005mL 3M MgCl2, 100 mM NaCl, 50 mM Tris pH 8.0, ratio 2/2