1RF1
Crystal Structure of Fragment D of gammaE132A Fibrinogen with the Peptide Ligand Gly-His-Arg-Pro-amide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-01-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98396 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 89.714, 94.683, 228.198 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.000 * - 2.530 |
| R-factor | 0.234 |
| Rwork | 0.234 |
| R-free | 0.28100 |
| Structure solution method | rigid body refinement |
| Starting model (for MR) | 1ltj |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.240 * |
| 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 | 2.620 |
| High resolution limit [Å] | 2.530 | 2.530 |
| Rmerge | 0.090 * | 0.359 * |
| Total number of observations | 264892 * | |
| Number of reflections | 66025 | |
| <I/σ(I)> | 13.8 | 4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 * | 4 * | 9-10% PEG 3350, 12.5 mM calcium chloride, 2 mM sodium azide, 50 mM Tris pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | Tris | 50 (mM) | pH7.4 |
| 3 | 1 | drop | GHRPam | 2 (mM) | |
| 4 | 1 | reservoir | Tris | 50 (mM) | pH8.5 |
| 5 | 1 | reservoir | 2 (mM) | ||
| 6 | 1 | reservoir | 12.5 (mM) | ||
| 7 | 1 | reservoir | PEG3350 | 9-10 (%) |
