6HX4
Fab fragment of a native monomer-selective antibody in complex with alpha-1-antitrypsin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 247.480, 36.750, 201.780 |
| Unit cell angles | 90.00, 126.07, 90.00 |
Refinement procedure
| Resolution | 39.690 - 2.950 |
| R-factor | 0.2335 |
| Rwork | 0.231 |
| R-free | 0.27660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mf2 1qlp |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.512 |
| Data reduction software | xia2 (0.5.474) |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | PHASER (2.6.1) |
| Refinement software | PHENIX (1.13-2998) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.690 | 39.690 | 3.000 |
| High resolution limit [Å] | 2.950 | 7.990 | 2.950 |
| Rmerge | 0.095 | 0.029 | 0.894 |
| Rmeas | 0.114 | 0.035 | 1.065 |
| Rpim | 0.062 | 0.020 | 0.573 |
| Number of reflections | 31780 | 1729 | 1472 |
| <I/σ(I)> | 10.3 | 27.8 | 1.4 |
| Completeness [%] | 99.1 | 98.24 | 93.34 |
| Redundancy | 3.23 | 2.8 | 3.22 |
| CC(1/2) | 0.997 | 0.998 | 0.447 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 15% PEG 4000, 0.1M sodium cacodylate pH 6 |
