3DY0
Crystal Structure of Cleaved PCI Bound to Heparin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-23 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.488 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.051, 49.451, 64.969 |
| Unit cell angles | 90.00, 113.08, 90.00 |
Refinement procedure
| Resolution | 26.930 - 1.550 |
| R-factor | 0.197 |
| Rwork | 0.197 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lq8 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.710 | 1.630 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.051 | 0.296 |
| Number of reflections | 49709 | |
| <I/σ(I)> | 2.7 | |
| Completeness [%] | 95.8 | 72.7 |
| Redundancy | 3.4 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 295 | 0.12M Lithium Nitrate, 12% PEG 3350, 25% Glycerol, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
