7RYX
S. CEREVISIAE CYP51 COMPLEXED WITH VT-1129
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 | 2018-04-07 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.402, 67.978, 80.304 |
| Unit cell angles | 90.00, 99.38, 90.00 |
Refinement procedure
| Resolution | 45.190 - 2.100 |
| R-factor | 0.2353 |
| Rwork | 0.234 |
| R-free | 0.26840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lxj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.941 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (v1.19.2-4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.190 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.086 | 0.720 |
| Number of reflections | 48767 | 4018 |
| <I/σ(I)> | 8.6 | 1.7 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 5.7 | 6 |
| CC(1/2) | 0.996 | 0.893 |
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 |
