6MPW
De Novo Design of membrane protein--mini-eVgL membrane protein, C2221 form-1
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] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-18 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.11583 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 55.580, 88.802, 48.207 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.113 - 2.500 |
| R-factor | 0.213 |
| Rwork | 0.212 |
| R-free | 0.23240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | one bundle of 6MCT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.387 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.630 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Rmerge | 0.067 | 0.580 |
| Rmeas | 0.070 | 0.610 |
| Number of reflections | 4438 | 672 |
| <I/σ(I)> | 19.71 | 4.84 |
| Completeness [%] | 99.0 | 94.1 |
| Redundancy | 12.3 | 11.9 |
| CC(1/2) | 0.999 | 0.986 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 298 | 0.05 M MgCl2, 0.1 %w/v NaN3, 0.1 M Na Cacodylate, pH 6.7, 6.6 %w/v PEG 3350 |
