3U65

The Crystal Structure of Tat-P(T) (Tp0957)

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	2011-06-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97818
Spacegroup name	P 1 21 1
Unit cell lengths	37.693, 148.038, 59.138
Unit cell angles	90.00, 97.11, 90.00

Refinement procedure

Resolution	37.768 - 1.400
R-factor	0.1792
Rwork	0.178
R-free	0.20130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.194
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.420
High resolution limit [Å]	1.400	3.800	1.400
Rmerge	0.037	0.023	0.566
Number of reflections	125807
<I/σ(I)>	15.5
Completeness [%]	99.8	97.3	99.7
Redundancy	4.1	4.1	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	20% PEG 3350, 0.2 M KSCN, pH 7.5, VAPOR DIFFUSION, temperature 293K