6MQ2
De Novo Design of membrane protein--mini-eVgL membrane protein, C2221 form-2
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 | 55.550, 81.890, 47.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.147 - 2.500 |
| R-factor | 0.2139 |
| Rwork | 0.213 |
| R-free | 0.23410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6mpw |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.494 |
| 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 | 2.530 |
| High resolution limit [Å] | 2.380 | 2.380 |
| Rmerge | 0.157 | 1.730 |
| Rmeas | 0.165 | 1.870 |
| Number of reflections | 4274 | 727 |
| <I/σ(I)> | 9.45 | |
| Completeness [%] | 92.7 | 53.5 |
| Redundancy | 11.68 | 3.15 |
| CC(1/2) | 0.998 | 0.877 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 0.2 M (NH4)2SO4, 0.1 M Na Acet pH 4.6, 28 %v/v PEG MME 550 |
