7VR5
Crystal structure of CmABCB1 W114Y/W161Y/W363Y/W364Y/M391W (4WY/M391W) mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-10-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 179.570, 179.570, 158.230 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.970 - 3.000 |
| R-factor | 0.2157 |
| Rwork | 0.213 |
| R-free | 0.26370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6a6n |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.499 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.113 | 0.742 |
| Rmeas | 0.118 | 0.771 |
| Number of reflections | 19770 | 2819 |
| <I/σ(I)> | 13.42 | 1.99 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 13.5 | 13.9 |
| CC(1/2) | 0.997 | 0.926 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 15.2% PEG 2000 MME, 100 mM potassium nitrate, 100 mM magnesium nitrate, 0.07 mM clotrimazole |
