6FTS

TETR(D) N82A MUTANT IN COMPLEX WITH PEG4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2007-05-07
Detector	RIGAKU SATURN 92
Wavelength(s)	1.5418
Spacegroup name	I 41 2 2
Unit cell lengths	68.779, 68.779, 180.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.390 - 2.000
R-factor	0.22579
Rwork	0.222
R-free	0.27236
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2trt 2tct
RMSD bond length	0.017
RMSD bond angle	1.738
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.390	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.062	0.525
Number of reflections	14920	1360
<I/σ(I)>	16.1	2.3
Completeness [%]	98.7	91.3
Redundancy	9.55	6.73

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	Precipitant: 2M (NH4)2SO4, 6% PEG400, 0.1M Tris pH8.5. 19.65mg/ml Protein, 2mM Tetracycline, 3M MgCl2.