3I97
B1 domain of human Neuropilin-1 bound with small molecule EG00229
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-05-01 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.000, 89.600, 41.600 |
| Unit cell angles | 90.00, 97.70, 90.00 |
Refinement procedure
| Resolution | 30.330 - 2.900 |
| R-factor | 0.219 |
| Rwork | 0.216 |
| R-free | 0.28200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kex |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.416 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.330 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.079 | 0.191 |
| Number of reflections | 5852 | |
| <I/σ(I)> | 8.5 | 4 |
| Completeness [%] | 88.0 | 85.4 |
| Redundancy | 2.4 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 293.15 | 100 mM MES (pH 6.0), 10% PEG 8K and 200 mM Zn(AcO, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K |
