3VTM

Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with Indium-porphyrin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-23
Detector	ADSC QUANTUM 270
Wavelength(s)	1.000
Spacegroup name	P 2 21 21
Unit cell lengths	49.460, 71.010, 75.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.820 - 2.800
R-factor	0.2298
Rwork	0.227
R-free	0.29230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qug
RMSD bond length	0.012
RMSD bond angle	1.777
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	51.822	41.422	2.950
High resolution limit [Å]	2.800	8.850	2.800
Rmerge		0.042	0.416
Rmeas		0.049	0.467
Rpim		0.024	0.208
Total number of observations		1009	4810
Number of reflections	6932
<I/σ(I)>	8.1	15	3.8
Completeness [%]	99.5	96.2	99.8
Redundancy	4.7	4.1	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	293	PEG-MME 3500, Sodium Iodide 0.2M, Potassium iodide 0.2M, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K