3MSE

Crystal structure of C-terminal domain of PF110239.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-24
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 31 2 1
Unit cell lengths	101.757, 101.757, 44.895
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.224
Rwork	0.222
R-free	0.26400
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.139
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.074	0.691
Number of reflections	15859
<I/σ(I)>	9.9	4.55
Completeness [%]	99.8	100
Redundancy	11.1	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	30 % PEG 400, 0.2 M Ammonium sulfate, 0.05 M Hepes 7.5, 2 mM AMPPNP, 4 mM CaCL2, MgCl2, 6.25 mM TCEp, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	30 % PEG 400, 0.2 M Ammonium sulfate, 0.05 M Hepes 7.5, 2 mM AMPPNP, 4 mM CaCL2, MgCl2, 6.25 mM TCEp, VAPOR DIFFUSION, HANGING DROP, temperature 293K