3MZH

Crystal structure of cAMP receptor protein from mycobacterium tuberculosis in complex with cAMP and its DNA binding element

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0066
Spacegroup name	P 1 21 1
Unit cell lengths	66.130, 61.250, 89.940
Unit cell angles	90.00, 104.29, 90.00

Refinement procedure

Resolution	43.579 - 2.900
R-factor	0.2482
Rwork	0.247
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gau
RMSD bond length	0.012
RMSD bond angle	1.465
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	Auto-Rickshaw
Refinement software	PHENIX (1.6.1_357)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.278	44.278	3.060
High resolution limit [Å]	2.900	9.170	2.900
Rmerge		0.073	0.353
Rmeas	0.136	0.094	0.455
Rpim	0.083	0.058	0.284
Total number of observations	32355	1095	4773
Number of reflections	14717
<I/σ(I)>	5.1	8.9	2.2
Completeness [%]	94.1	92	95.3
Redundancy	2.2	2.2	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.2M MAGNESIUM CHLORIDE, 0.1M TRIS-CL pH 8.5, 30%(W/V) PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K