5U74
Structure of human Niemann-Pick C1 protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-10-16 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 174.870, 222.115, 107.851 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.919 - 3.335 |
| R-factor | 0.2489 |
| Rwork | 0.246 |
| R-free | 0.29880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5I31 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.982 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.919 | 3.420 |
| High resolution limit [Å] | 3.335 | 3.335 |
| Rmerge | 0.147 | |
| Number of reflections | 30194 | |
| <I/σ(I)> | 8.9 | |
| Completeness [%] | 97.7 | |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 5.5 | 293 | 0.1 M sodium acetate pH 5.5, 0.1 M NaCl, 10% (vol/vol) PEG4000, 6% (vol/vol) Jeffamine M-600 pH 7.0, and 6% (vol/vol) PEG P400 |
