7UWP
Detergent-bound CYP51 from Acanthamoeba castellanii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-02-21 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 100.397, 101.561, 122.004 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.080 - 1.950 |
| R-factor | 0.1949 |
| Rwork | 0.193 |
| R-free | 0.22510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6mcw |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.220 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmeas | 0.069 | |
| Rpim | 0.022 | 0.533 |
| Number of reflections | 91205 | 1947 |
| <I/σ(I)> | 34.1 | 1.2 |
| Completeness [%] | 89.5 | 28 |
| Redundancy | 9.5 | 6.8 |
| CC(1/2) | 0.990 | 0.632 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | PEG 3350, potassium phosphate, (2R,3R,4S,5S,6R)-2-(((2R,3S,4R,5R,6R)-6-(dodecyloxy)-4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol |
