1JTX

Crystal structure of the multidrug binding transcriptional regulator QacR bound to crystal violet

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2000-12-20
Detector	ADSC QUANTUM 4
Wavelength(s)	0.98
Spacegroup name	P 42 21 2
Unit cell lengths	172.900, 172.900, 95.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.970 - 2.850
R-factor	0.228 *
Rwork	0.227
R-free	0.28600 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1jus
RMSD bond length	0.011
RMSD bond angle	2.430 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.970	2.920
High resolution limit [Å]	2.850	2.850
Rmerge	0.064 *	0.449
Total number of observations	340448 *
Number of reflections	34304
<I/σ(I)>	8.5	1.7
Completeness [%]	100.0	100
Redundancy	9.9	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5	298	Ammonium sulphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	glycine	200 (mM)
2	1	drop	protein	15 (mg/ml)
3	1	reservoir	Tris	25 (mM)	pH7.5
4	1	drop	imidazole	50 (mM)
5	1	drop		300 (mM)
6	1	drop	glycerol	5 (%)