1RE4
Crystal Structure of Fragment D of BbetaD398A Fibrinogen
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-02-17 |
| Detector | SBC-2 |
| Wavelength(s) | 0.97956 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 88.538, 94.487, 227.088 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.990 - 2.700 |
| R-factor | 0.22 |
| Rwork | 0.220 |
| R-free | 0.27100 |
| Structure solution method | rigid body refinement |
| Starting model (for MR) | 1lt9 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 47513 | |
| <I/σ(I)> | 8.8 | 1.8 |
| Completeness [%] | 89.0 | 91.3 |
| Redundancy | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 14-15% PEG 3350, 70 mM calcium chloride, 2 mM sodium azide, 50 mM Tris pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
