5EHS
Crystal structure of the Drosophila CG3822 KaiR1D ligand binding domain complex with D-AP5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-23 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 31 |
| Unit cell lengths | 54.700, 54.700, 147.897 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.889 - 1.749 |
| R-factor | 0.1897 |
| Rwork | 0.188 |
| R-free | 0.23380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ehm |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.130 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1-2155_1692: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.039 | 0.576 |
| Number of reflections | 97494 | |
| <I/σ(I)> | 24.14 | 1.72 |
| Completeness [%] | 99.6 | 99.7 |
| Redundancy | 3.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 293 | Buffer 150 NaCl 10 HEPES pH 7.5 20 mM DL-AP5 2 mM EDTA Reservoir 19% PEG 1K 0.1 M Na Citrate pH 6.1 |
