6PYD
Structure of 3E9 antibody Fab bound to marinobufagenin
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 | 2015-10-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9900 |
| Spacegroup name | P 1 |
| Unit cell lengths | 49.920, 67.690, 71.986 |
| Unit cell angles | 97.37, 106.35, 107.00 |
Refinement procedure
| Resolution | 67.230 - 2.000 |
| R-factor | 0.23098 |
| Rwork | 0.229 |
| R-free | 0.27640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pub |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.333 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.031 | 0.324 |
| Rmeas | 0.043 | 0.458 |
| Rpim | 0.031 | 0.324 |
| Number of reflections | 51985 | 1404 |
| <I/σ(I)> | 17.4 | 1.4 |
| Completeness [%] | 89.7 | 47.5 |
| Redundancy | 1.9 | 1.6 |
| CC(1/2) | 0.827 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | Ammonium sulfate, PEG 3350, pH 6.0 |
