6KBU
Crystal structure of yedK
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-01-08 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.740, 67.327, 74.875 |
| Unit cell angles | 90.00, 98.84, 90.00 |
Refinement procedure
| Resolution | 38.085 - 2.100 |
| R-factor | 0.1703 |
| Rwork | 0.167 |
| R-free | 0.24010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2icu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.853 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
| Rmerge | 0.158 | 0.095 | 0.462 |
| Rmeas | 0.174 | 0.103 | 0.524 |
| Rpim | 0.072 | 0.041 | 0.239 |
| Total number of observations | 136928 | ||
| Number of reflections | 26234 | 2756 | 2345 |
| <I/σ(I)> | 3.9 | ||
| Completeness [%] | 97.4 | 99.3 | 88.7 |
| Redundancy | 5.2 | 6 | 4.1 |
| CC(1/2) | 0.995 | 0.768 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 293 | 0.2 M DL-malic acid pH7.0, 20% PEG3350 |
