6W9T
Crystal structure of Neisseria meningitidis ClpP protease complex with small molecule activator ACP1-06
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-ID-B |
| Synchrotron site | APS |
| Beamline | 14-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-07-21 |
| Detector | RAYONIX MX340-HS |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 97.328, 119.150, 127.763 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 97.330 - 1.640 |
| R-factor | 0.2378 |
| Rwork | 0.237 |
| R-free | 0.28160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6nb1 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.282 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 119.150 | 119.150 | 1.660 |
| High resolution limit [Å] | 1.640 | 8.960 | 1.640 |
| Rmerge | 0.145 | 0.066 | 0.565 |
| Rmeas | 0.160 | 0.072 | 0.712 |
| Rpim | 0.067 | 0.028 | 0.426 |
| Total number of observations | 1012426 | 7608 | 14378 |
| Number of reflections | 179842 | 1277 | 6691 |
| <I/σ(I)> | 12.1 | 32 | 1 |
| Completeness [%] | 98.2 | 99.5 | 75.1 |
| Redundancy | 5.6 | 6 | 2.1 |
| CC(1/2) | 0.984 | 0.996 | 0.465 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 0.1 M sodium acetate, 40% 2-methyl-2,4-pentanediol (MPD) |
