8DL4
S. CEREVISIAE CYP51 COMPLEXED WITH Courmarin-containing INHIBITOR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 91 |
Detector technology | PIXEL |
Collection date | 2019-11-21 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.954 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 76.392, 64.379, 81.003 |
Unit cell angles | 90.00, 98.30, 90.00 |
Refinement procedure
Resolution | 43.670 - 1.910 |
R-factor | 0.1921 |
Rwork | 0.191 |
R-free | 0.21050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lxj |
RMSD bond length | 0.007 |
RMSD bond angle | 0.839 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.670 | 1.978 |
High resolution limit [Å] | 1.910 | 1.910 |
Rmerge | 0.061 | 1.408 |
Number of reflections | 60454 | 5947 |
<I/σ(I)> | 19.7 | |
Completeness [%] | 99.7 | 99.07 |
Redundancy | 6.9 | 6.8 |
CC(1/2) | 1.000 | 0.705 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 291 | 44% PEG 400, 0.1 M Glycine, pH 9.5 |