5NEB
Structure of GluK1 ligand-binding domain (S1S2) in complex with LM-12b at 2.05 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P14 (MX2) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-02 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97510 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.862, 57.839, 89.302 |
| Unit cell angles | 90.00, 102.41, 90.00 |
Refinement procedure
| Resolution | 50.650 - 2.050 |
| R-factor | 0.195 |
| Rwork | 0.194 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4e0x |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.528 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.216 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.487 | |
| Number of reflections | 32564 | |
| <I/σ(I)> | 10.9 | 1.5 |
| Completeness [%] | 99.7 | 99.3 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 279 | 20% PEG4000, 0.3 M lithium sulfate, 0.1 M phosphate-citrate |
