4Z91
ELIC cocrystallized with isofluorane in a desensitized 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 | 2014-01-16 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9199 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 105.761, 267.595, 111.368 |
| Unit cell angles | 90.00, 107.80, 90.00 |
Refinement procedure
| Resolution | 34.893 - 3.392 |
| R-factor | 0.1938 |
| Rwork | 0.192 |
| R-free | 0.24660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rqu |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.430 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.010 | 3.460 |
| High resolution limit [Å] | 3.390 | 3.390 |
| Rmerge | 0.146 | |
| Number of reflections | 156498 | |
| <I/σ(I)> | 12.2 | |
| Completeness [%] | 98.1 | 91.6 |
| Redundancy | 7 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 277 | isoflurane, 3-bromopropylamine, PEG 4000, ammonium sulphate, MES |
