6Q2C
Domain-swapped dimer of Acanthamoeba castellanii CYP51
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 | 2019-05-31 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.1159 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 100.350, 101.570, 123.740 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 78.510 - 1.800 |
| R-factor | 0.1874 |
| Rwork | 0.185 |
| R-free | 0.22670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c27 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.974 |
| 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] | 80.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.059 | 2.860 |
| Number of reflections | 115283 | 38943 |
| <I/σ(I)> | 17.68 | 0.45 |
| Completeness [%] | 98.2 | 83.9 |
| Redundancy | 11.4 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 296 | 15% PEG 3350; 0.2 M di-sodium DL-malate, pH 6.8-7.2 |
