4YMB
Structure of the ligand-binding domain of GluK1 in complex with the antagonist CNG10111
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 71.813, 71.813, 230.126 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.900 - 1.930 |
| R-factor | 0.1811 |
| Rwork | 0.179 |
| R-free | 0.21990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dld |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.103 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER (2.5.1) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 68.553 | 46.457 | 2.030 |
| High resolution limit [Å] | 1.930 | 6.100 | 1.930 |
| Rmerge | 0.037 | 0.338 | |
| Rmeas | 0.076 | ||
| Rpim | 0.028 | 0.017 | 0.141 |
| Total number of observations | 347630 | 11339 | 45023 |
| Number of reflections | 46519 | ||
| <I/σ(I)> | 18.1 | 33.4 | 5.6 |
| Completeness [%] | 100.0 | 99.8 | 99.9 |
| Redundancy | 7.5 | 6.7 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 280 | PEG8000, lithium sulfate, TRIS |
