9R7G
CHAP domain of Pneumococcal Endopeptidase PcsB - Active Site Mutant C292A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-21 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.95371 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 68.878, 47.920, 84.424 |
| Unit cell angles | 90.00, 97.93, 90.00 |
Refinement procedure
| Resolution | 49.660 - 1.800 |
| R-factor | 0.2167 |
| Rwork | 0.215 |
| R-free | 0.24215 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.458 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.660 | 1.710 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.169 | 1.454 |
| Rmeas | 0.186 | 1.045 |
| Rpim | 0.078 | 0.849 |
| Number of reflections | 62042 | 2918 |
| <I/σ(I)> | 5.8 | |
| Completeness [%] | 99.5 | |
| Redundancy | 5.5 | 3.7 |
| CC(1/2) | 0.993 | 0.435 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 100mM BICINE (pH 9), 10% w/v PEG 6000 |
