3QBM

Crystal structure of a TetR transcriptional regulator (Caur_2221) from CHLOROFLEXUS AURANTIACUS J-10-FL at 1.80 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9537,0.9796,0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	43.335, 106.449, 45.577
Unit cell angles	90.00, 110.94, 90.00

Refinement procedure

Resolution	27.255 - 1.800
R-factor	0.1672
Rwork	0.165
R-free	0.21320
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.465
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.255	27.255	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge		0.033	0.539
Total number of observations		965	6109
Number of reflections	34688
<I/σ(I)>	8.6	18	2.2
Completeness [%]	97.3	92.6	98.9
Redundancy	2.4	2.5	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.2M MgCl2, 20.0% PEG-8000, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K