3CAL
Crystal structure of the second and third fibronectin F1 modules in complex with a fragment of staphylococcus aureus fnbpa-5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97900 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.495, 73.438, 36.742 |
| Unit cell angles | 90.00, 95.05, 90.00 |
Refinement procedure
| Resolution | 36.588 - 1.700 |
| R-factor | 0.17865 |
| Rwork | 0.177 |
| R-free | 0.21665 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rkz |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.428 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0013) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.588 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 19459 | |
| <I/σ(I)> | 20.7 | 4.2 |
| Completeness [%] | 96.3 | 95.7 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.95M succinic acid, pH7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
