6C40
CheY41PyTyrD54K from Thermotoga maritima
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-07 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 33.634, 34.816, 58.547 |
| Unit cell angles | 98.80, 104.42, 100.33 |
Refinement procedure
| Resolution | 33.507 - 2.700 |
| R-factor | 0.225 |
| Rwork | 0.217 |
| R-free | 0.29550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4tmy |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.757 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
| High resolution limit [Å] | 1.940 | 5.260 | 1.940 |
| Rmerge | 0.189 | 0.162 | |
| Rmeas | 0.233 | 0.197 | |
| Rpim | 0.134 | 0.111 | |
| Total number of observations | 19710 | ||
| Number of reflections | 6625 | 842 | 50 |
| <I/σ(I)> | 4.6 | ||
| Completeness [%] | 55.3 | 92.1 | 5.5 |
| Redundancy | 2 | 2.6 | 1 |
| CC(1/2) | 0.932 | 0.693 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | HEPES pH 7, ammonium sulfate, PEG 4000 |
