5O1R
human Fab 5H2 bound to NHBA-C3 from Neisseria meningitidis serogroup B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-03 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 119.450, 119.450, 364.220 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 78.740 - 2.860 |
| R-factor | 0.1799 |
| Rwork | 0.178 |
| R-free | 0.22230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5nyx |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.290 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 91.050 | 2.930 |
| High resolution limit [Å] | 2.860 | 2.860 |
| Rmerge | 0.189 | |
| Rmeas | 0.194 | |
| Rpim | 0.044 | 0.875 |
| Number of reflections | 36688 | 2628 |
| <I/σ(I)> | 18.4 | 1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 19.4 | |
| CC(1/2) | 0.999 | 0.557 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.1 M TRIS pH 8.0 and 1.6 M lithium sulphate |
