3N7T

Crystal structure of a macrophage binding protein from Coccidioides immitis

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	2010-05-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97946
Spacegroup name	P 43 21 2
Unit cell lengths	89.410, 89.410, 107.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.161
Rwork	0.159
R-free	0.19200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rw7
RMSD bond length	0.016
RMSD bond angle	1.400
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.104	0.566
Number of reflections	25961	1863
<I/σ(I)>	23.95	6.1
Completeness [%]	100.0	100
Redundancy	17.3	17.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	289	32.1 mg/mL protein against JCSG+ screen condition C6, 40% PEG 300, 0.1 M phosphate/citrate pH 4.2, crystal tracking ID 206576c6, VAPOR DIFFUSION, SITTING DROP, temperature 289K