5ESN
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) T322I mutant structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2014-11-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.520, 65.950, 80.950 |
Unit cell angles | 90.00, 98.84, 90.00 |
Refinement procedure
Resolution | 38.300 - 2.350 |
R-factor | 0.1857 |
Rwork | 0.183 |
R-free | 0.22770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lxj |
RMSD bond length | 0.008 |
RMSD bond angle | 0.898 |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 79.990 | 2.450 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.100 | 0.565 |
Number of reflections | 33722 | |
<I/σ(I)> | 10.4 | 3 |
Completeness [%] | 99.7 | 100 |
Redundancy | 6.5 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.3 | 291 | 45% PEG-400, 0.1 M Glycine |