2Q7A

Crystal structure of the cell surface heme transfer protein Shp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Detector technology	CCD
Collection date	2007-04-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9793
Spacegroup name	P 65
Unit cell lengths	82.317, 82.317, 106.054
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.170 - 2.100
R-factor	0.166
Rwork	0.163
R-free	0.22200
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.164
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.115	0.593
Number of reflections	23738
<I/σ(I)>	20.4	2.3
Completeness [%]	99.6	95.2
Redundancy	10.8	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	0.8M ammonium sulfate, 0.1M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	6	295	0.8M ammonium sulfate, 0.1M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	6	295	0.8M ammonium sulfate, 0.1M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K