3LAP

The Structure of the Intermediate Complex of the Arginine Repressor from Mycobacterium tuberculosis Bound to its DNA Operator and L-canavanine.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-16
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	184.750, 106.532, 117.752
Unit cell angles	90.00, 121.40, 90.00

Refinement procedure

Resolution	39.004 - 2.150
R-factor	0.1855
Rwork	0.184
R-free	0.20490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.366
Data reduction software	MOSFLM
Data scaling software	HKL-2000
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.067	0.433
Number of reflections	96776
<I/σ(I)>	11.5	1.9
Completeness [%]	91.8	95.1
Redundancy	2.4	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	295	1M ammonium sulfate, 100 mM bis-tris buffer, 1% PEG 3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K