6SUZ
Human prion protein (PrP) fragment 119-231 (G127V V129 variant) complexed to ICSM 18 (anti-Prp therapeutic antibody) Fab fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 300 |
| Detector technology | PIXEL |
| Collection date | 2014-01-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 127.951, 127.951, 135.797 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 111.000 - 2.500 |
| R-factor | 0.1633 |
| Rwork | 0.161 |
| R-free | 0.21240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w9e |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.882 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.2.17) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 111.000 | 85.850 | 2.600 |
| High resolution limit [Å] | 2.500 | 9.010 | 2.500 |
| Rmerge | 0.142 | 0.076 | 1.059 |
| Rmeas | 0.156 | 0.084 | 1.162 |
| Rpim | 0.063 | 0.035 | 0.464 |
| Total number of observations | 3031 | 15122 | |
| Number of reflections | 23111 | 578 | 2554 |
| <I/σ(I)> | 10.9 | 23.1 | 2.6 |
| Completeness [%] | 99.4 | 97.6 | 99.6 |
| Redundancy | 5.9 | 5.2 | 5.9 |
| CC(1/2) | 0.992 | 0.990 | 0.609 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 300 | 5 - 6 mg/mL PrP in 0.4 M and 0.75 M ammonium sulphate, 0.05 M Tris (pH 7.5 and 8.0) were equilibrated over wells containing 0.8 M and 1.5 M ammonium sulphate, 0.1 M Tris (pH 7.5 and 8.0). |
