2OVI

Structure of the Heme Binding Protein ChuX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2005-04-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97950
Spacegroup name	P 41
Unit cell lengths	76.560, 76.560, 140.864
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.050
Rwork	0.213
R-free	0.25000
Structure solution method	SAD
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.06)
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.055	0.950
Number of reflections	50833
<I/σ(I)>	15.1
Completeness [%]	100.0	100
Redundancy	7.1	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	40 mg/ml protein, equal amount of protein solution and reservoir solution consisting of 1.50 M Ammonium sulfate, 50mM Hepes, pH 7.5, 2% (v/v) PEG 400, crystal appeared after 2-4 days, cryoprotection: Paratone-N oil, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	40 mg/ml protein, equal amount of protein solution and reservoir solution consisting of 1.50 M Ammonium sulfate, 50mM Hepes, pH 7.5, 2% (v/v) PEG 400, crystal appeared after 2-4 days, cryoprotection: Paratone-N oil, VAPOR DIFFUSION, HANGING DROP, temperature 295K