5JGI
X-ray structure of neuropilin-1 b1 domain complexed with M45 compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-23 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.650, 89.203, 41.645 |
| Unit cell angles | 90.00, 98.71, 90.00 |
Refinement procedure
| Resolution | 41.160 - 1.380 |
| R-factor | 0.1519 |
| Rwork | 0.151 |
| R-free | 0.16914 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kex |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.978 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.160 | 1.400 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Rmerge | 0.034 | 0.136 |
| Number of reflections | 57512 | |
| <I/σ(I)> | 28.4 | 8.6 |
| Completeness [%] | 95.7 | 70 |
| Redundancy | 6.6 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.9 | 289 | 20% PEG3350+0.2 M NH4Cl |
