4Z90
ELIC bound with the anesthetic isoflurane in the resting state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 105.848, 267.079, 111.128 |
| Unit cell angles | 90.00, 106.94, 90.00 |
Refinement procedure
| Resolution | 36.973 - 3.000 |
| R-factor | 0.2107 |
| Rwork | 0.209 |
| R-free | 0.24320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rqu |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.328 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.630 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.251 | |
| Number of reflections | 117464 | |
| <I/σ(I)> | 14.9 | 1.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 21.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 277 | isoflurane, PEG 4000, ammonium sulfate, MES |
