3WEB
Crystal structure of a Niemann-Pick type C2 protein from Japanese carpenter ant in complex with oleic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2011-12-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 34.849, 103.177, 39.311 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.268 - 1.700 |
| R-factor | 0.21863 |
| Rwork | 0.216 |
| R-free | 0.26662 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wea |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.140 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.268 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 16234 | |
| <I/σ(I)> | 16.3 | 8.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 13.6 | 13.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 25% (w/v) PEG 3350, 0.2mM sodium chloride, 0.1M HEPES buffer, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
