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 |