3S1K

The Development of Peptide-based Tools for the Analysis of Angiogenesis

Experimental procedure

Experimental method	SINGLE
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	298
Detector technology	CCD
Collection date	2008-04-10
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	69.228, 72.760, 76.344
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.918 - 2.550
R-factor	0.2288
Rwork	0.227
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.785
Data reduction software	DENZO
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER
Refinement software	PHENIX (dev_751)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.706	52.706	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge	0.092	0.031	0.557
Total number of observations		2539	11018
Number of reflections	14337
<I/σ(I)>	9.6	15.6	1.4
Completeness [%]	91.7	98.5	100
Redundancy	4.8	4.6	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	0.2 M KI, 0.1 M MES, PEG 4000 25.0% v/v, pH 6.5, vapor diffusion, hanging drop, temperature 289K