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 |