5EQB
Crystal structure of lanosterol 14-alpha demethylase with intact transmembrane domain bound to itraconazole
Replaces: 4K0FExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.11 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.630, 67.845, 80.705 |
| Unit cell angles | 90.00, 99.75, 90.00 |
Refinement procedure
| Resolution | 29.875 - 2.190 |
| R-factor | 0.1933 |
| Rwork | 0.192 |
| R-free | 0.22840 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.181 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1664) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 80.000 |
| High resolution limit [Å] | 2.190 |
| Number of reflections | 42829 |
| <I/σ(I)> | 25 |
| Completeness [%] | 97.0 |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 45% PEG 400, 0.1M Glycine, pH 9.3 |
