9MK5
Crystal structure of Neisseria meningitidis ClpP protease complex with small molecule activator, Dioctatin
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-09-24 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.52120 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 97.435, 127.304, 119.091 |
| Unit cell angles | 90.00, 90.26, 90.00 |
Refinement procedure
| Resolution | 97.430 - 1.900 |
| R-factor | 0.2034 |
| Rwork | 0.202 |
| R-free | 0.23590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 119.090 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.127 | 1.800 |
| Number of reflections | 225163 | 224880 |
| <I/σ(I)> | 9.8 | |
| Completeness [%] | 99.1 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.994 | 0.353 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2 M potassium thiocyanate or potassium acetate, pH 7.5, 40% (+/-)-2-methyl-2,4-pentanediol |
