5UL0
S. CEREVISIAE CYP51 COMPLEXED WITH VT-1161
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 91 |
Detector technology | CCD |
Collection date | 2015-10-02 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.954 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 78.800, 67.140, 81.430 |
Unit cell angles | 90.00, 99.45, 90.00 |
Refinement procedure
Resolution | 30.974 - 2.200 |
R-factor | 0.2064 |
Rwork | 0.204 |
R-free | 0.25270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lxj |
RMSD bond length | 0.008 |
RMSD bond angle | 0.940 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.15) |
Phasing software | PHASER (2.6.0) |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 51.770 | 51.770 | 2.270 |
High resolution limit [Å] | 2.200 | 9.070 | 2.200 |
Rmerge | 0.080 | 0.046 | 0.482 |
Rmeas | 0.095 | 0.054 | 0.580 |
Rpim | 0.049 | 0.028 | 0.313 |
Number of reflections | 38958 | ||
<I/σ(I)> | 8.1 | ||
Completeness [%] | 91.1 | 92.7 | 81.9 |
Redundancy | 3.1 | 3.3 | 2.9 |
CC(1/2) | 0.994 | 0.991 | 0.587 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 291 | 45% PEG 400, 0.1 M GLYCINE |