8AF2
Human Sterol Carrier Protein with unnatural amino acid 2,2'-bipyridine alanine incorporated at position 111
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 81 |
| Detector technology | PIXEL |
| Collection date | 2020-11-24 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.512, 50.523, 62.211 |
| Unit cell angles | 90.00, 90.73, 90.00 |
Refinement procedure
| Resolution | 62.210 - 2.510 |
| R-factor | 0.2366 |
| Rwork | 0.234 |
| R-free | 0.29970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ikt |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.727 |
| Data reduction software | autoPROC |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.210 | 2.558 |
| High resolution limit [Å] | 2.510 | 2.514 |
| Rmerge | 0.182 | |
| Number of reflections | 7377 | 370 |
| <I/σ(I)> | 6.6 | 1.1 |
| Completeness [%] | 99.4 | 99.5 |
| Redundancy | 5.2 | |
| CC(1/2) | 0.996 | 0.352 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 281 | well solution 2.3M ammonium sulphate, 100 mM citric acid pH 5.6 and 200 mM NaCl |
