3V3N

Crystal structure of TetX2 T280A: an adaptive mutant in complex with minocycline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-13
Detector	NOIR-1
Wavelength(s)	1.00004
Spacegroup name	P 1
Unit cell lengths	68.426, 80.102, 87.362
Unit cell angles	111.11, 90.10, 93.01

Refinement procedure

Resolution	49.297 - 2.703
R-factor	0.2233
Rwork	0.221
R-free	0.27570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p9u
RMSD bond length	0.009
RMSD bond angle	1.235
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.770
High resolution limit [Å]	2.703	7.380	2.703
Rmerge	0.074	0.048	0.317
Number of reflections	43415
<I/σ(I)>	12.3
Completeness [%]	93.0	97.2	84.7
Redundancy	1.7	1.9	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.6	283.15	Ammonium Sulafate, pH 8.6, VAPOR DIFFUSION, SITTING DROP, temperature 283.15K