5NYX
human Fab fragment 5H2 against NHBA from Neisseria meningitidis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97721 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.025, 105.749, 86.259 |
| Unit cell angles | 90.00, 112.00, 90.00 |
Refinement procedure
| Resolution | 47.017 - 1.880 |
| R-factor | 0.1884 |
| Rwork | 0.186 |
| R-free | 0.22640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3TNM and 3HI6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.934 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MoRDa (1.2.02) |
| Refinement software | PHENIX ((dev_2356: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.020 | 1.950 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.082 | 0.831 |
| Rmeas | 0.100 | 1.008 |
| Rpim | 0.056 | 0.563 |
| Number of reflections | 109382 | 10764 |
| <I/σ(I)> | 6.6 | 1.3 |
| Completeness [%] | 98.8 | 99.2 |
| Redundancy | 3 | 3 |
| CC(1/2) | 0.994 | 0.474 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.2 M (NH4)2SO4, 0.1 M Na-Cacodilate pH 6.5, 30 %w/v PEG 8K |
