3OS1

PFV target capture complex (TCC) at 2.97 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 41 21 2
Unit cell lengths	159.882, 159.882, 127.842
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.110 - 2.970
R-factor	0.23254
Rwork	0.231
R-free	0.26350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l2r
RMSD bond length	0.009
RMSD bond angle	1.298
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.110	3.130
High resolution limit [Å]	2.970	2.970
Rmerge	0.098	0.763
Number of reflections	34608
<I/σ(I)>		2
Completeness [%]	99.6	100
Redundancy	4.6	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	38% PEG-400, 180mM Li2SO4, 20mM MgCl2, 100mM Tris-HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K