4AUX

Tet repressor class D in complex with 9-nitrotetracycline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW32
Synchrotron site	LURE
Beamline	DW32
Temperature [K]	277
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	I 41 2 2
Unit cell lengths	69.100, 69.100, 182.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.760 - 2.250
R-factor	0.21275
Rwork	0.209
R-free	0.25834
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2tct
RMSD bond length	0.011
RMSD bond angle	1.428
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	REFMAC (5.7.0027)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.800	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.050	0.170
Number of reflections	11066
<I/σ(I)>	37	3.2
Completeness [%]	98.6	96.6
Redundancy	4.1	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	1 M (NH4)2S04, 200 MM NACL, 5 MM MGCL2 AND 20 MM TRIS-HCL, PH 8.0 WITH 10 MG/ML TETR, 2 MM 9-NITROTC AND 5 MM MGCL2, HANGING DROP, TEMPERATURE 291K