8K1K
KtrA bound with ATP and sodium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2022-05-22 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1 |
| Spacegroup name | I 4 |
| Unit cell lengths | 122.536, 122.536, 83.754 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.010 - 3.000 |
| R-factor | 0.2254 |
| Rwork | 0.221 |
| R-free | 0.26890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.536 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.010 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.041 | 0.417 |
| Rmeas | 0.043 | 0.431 |
| Number of reflections | 24361 | 1243 |
| <I/σ(I)> | 50.39 | 5.03 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 15.2 | |
| CC(1/2) | 0.970 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 100 mM HEPES-KOH pH 7.5, 3% PEG 6000, 2.5% 2- methyl-2,4-pentanediol (MPD), 10 mM Thallium(I) acetate |
