4J9A
Engineered Digoxigenin binder DIG10.3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.5998 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 132.793, 90.993, 110.075 |
| Unit cell angles | 90.00, 92.68, 90.00 |
Refinement procedure
| Resolution | 45.540 - 3.200 |
| R-factor | 0.2648 |
| Rwork | 0.262 |
| R-free | 0.31670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.736 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.310 |
| High resolution limit [Å] | 3.200 | 6.890 | 3.200 |
| Rmerge | 0.109 | 0.059 | 0.515 |
| Number of reflections | 21183 | ||
| <I/σ(I)> | 12.1 | ||
| Completeness [%] | 97.8 | 99.2 | 96.5 |
| Redundancy | 7.3 | 7.3 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 0.2M Ammonium acetate, 0.1M Bis-Tris pH5.5, 20% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
