2PN5

Crystal Structure of TEP1r

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-11
Detector	APS-1
Wavelength(s)	0.9791
Spacegroup name	P 43 21 2
Unit cell lengths	150.515, 150.515, 226.315
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.880 - 2.698
Rwork	0.239
R-free	0.27500
Structure solution method	MIRAS
RMSD bond length	0.009
RMSD bond angle	1.188
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.698	2.698
Rmerge	0.080	0.898
Number of reflections	71959
<I/σ(I)>	10.1	2.1
Completeness [%]	99.9	99.9
Redundancy	7.8	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	2 M NaH2/K2H PO4, 0.2 M NaCl, 0.1 M imidazole pH 8.0, 50 mM NaK tartrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	2 M NaH2/K2H PO4, 0.2 M NaCl, 0.1 M imidazole pH 8.0, 50 mM NaK tartrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	2 M NaH2/K2H PO4, 0.2 M NaCl, 0.1 M imidazole pH 8.0, 50 mM NaK tartrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	2 M NaH2/K2H PO4, 0.2 M NaCl, 0.1 M imidazole pH 8.0, 50 mM NaK tartrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K