8AF3
Sterol carrier protein Artifical metalloenzyme incorporating Q111C mutation coupled to 2,2'-bipyridine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 81 |
| Detector technology | PIXEL |
| Collection date | 2019-12-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.378 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.160, 51.050, 63.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.680 - 1.520 |
| R-factor | 0.2272 |
| Rwork | 0.227 |
| R-free | 0.23890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ikt |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.680 | 1.574 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmeas | 0.044 | |
| Number of reflections | 32696 | 1005 |
| <I/σ(I)> | 26.4 | 0.4 |
| Completeness [%] | 97.1 | |
| Redundancy | 11.3 | |
| CC(1/2) | 1.000 | 0.400 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 278 | well solution 2.3M ammonium sulphate, 100 mM citric acid pH 5.6 and 200 mM NaCl |
