7NTP
Human myelin P2 mutant V115A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-05-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.033222 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 85.470, 91.220, 107.050 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.730 - 2.100 |
| R-factor | 0.2396 |
| Rwork | 0.237 |
| R-free | 0.28860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nr3 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.808 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.732 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmeas | 0.078 | |
| Number of reflections | 24729 | 1814 |
| <I/σ(I)> | 11.15 | 0.85 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 4.93 | 5.05 |
| CC(1/2) | 0.998 | 0.261 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 293 | 2.2 M sodium malonate, pH 7.2 |
