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 |