3WMG
Crystal structure of an inward-facing eukaryotic ABC multidrug transporter G277V/A278V/A279V mutant in complex with an cyclic peptide inhibitor, aCAP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2012-06-21 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.0000 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 180.490, 180.490, 153.164 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.470 - 2.400 |
| R-factor | 0.22039 |
| Rwork | 0.219 |
| R-free | 0.24607 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.080 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
| Rmerge | 0.085 | 0.049 | 0.575 |
| Number of reflections | 36663 | ||
| <I/σ(I)> | 14.6 | ||
| Completeness [%] | 98.6 | 92.5 | 96.7 |
| Redundancy | 11.2 | 10.9 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 293 | 15% (w/v) PEG 2000 MME, 100mM magnesium nitrate, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
