7MPD
Structure of SsoPTP bound to 2-chloroethylsulfonate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 84 |
| Detector technology | PIXEL |
| Collection date | 2019-06-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 63 |
| Unit cell lengths | 83.923, 83.923, 42.352 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.590 - 1.050 |
| R-factor | 0.1255 |
| Rwork | 0.125 |
| R-free | 0.13770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i6i |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.234 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER (2.8.0) |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.090 |
| High resolution limit [Å] | 1.050 | 2.260 | 1.050 |
| Rmerge | 0.079 | 0.071 | 0.663 |
| Rmeas | 0.081 | 0.073 | 0.700 |
| Rpim | 0.019 | 0.017 | 0.219 |
| Total number of observations | 1339872 | ||
| Number of reflections | 78794 | 8124 | 7231 |
| <I/σ(I)> | 18.1 | ||
| Completeness [%] | 99.1 | 99.8 | 91.4 |
| Redundancy | 17 | 19.1 | 9.4 |
| CC(1/2) | 0.997 | 0.894 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1M HEPES, 0.001 M zinc chloride, 20% PEG 6000 |
