7LES
Acanthamoeba castellanii CYP51 (AcCYP51)-Imidazole complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2020-12-10 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.1159 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 98.560, 125.580, 100.510 |
| Unit cell angles | 90.00, 90.04, 90.00 |
Refinement procedure
| Resolution | 100.710 - 2.650 |
| R-factor | 0.19611 |
| Rwork | 0.192 |
| R-free | 0.27535 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6q2c |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.529 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.710 | 2.960 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.130 | 2.980 |
| Number of reflections | 71061 | 5200 |
| <I/σ(I)> | 12.45 | 0.61 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.86 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 296 | 16%PEG 3350, 2% Tacsimate pH 7.0, 0.1 M sodium citrate pH 5.2 |
