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 |