3PEC

Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97
Spacegroup name	P 41 21 2
Unit cell lengths	114.200, 114.200, 119.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.660 - 2.190
R-factor	0.24783
Rwork	0.245
R-free	0.27294
Structure solution method	Used previously-determined structure
Starting model (for MR)	1l6m
RMSD bond length	0.005
RMSD bond angle	0.970
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.5.0072)
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge		0.350
Number of reflections	41091
<I/σ(I)>		5.6
Completeness [%]	100.0	100
Redundancy		7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K