9RU3
Streptococcus pneumoniae StkP catalytic domain T167A/T169A double mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.07227 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.257, 51.947, 81.818 |
| Unit cell angles | 90.00, 103.41, 90.00 |
Refinement procedure
| Resolution | 46.390 - 2.800 |
| R-factor | 0.2268 |
| Rwork | 0.223 |
| R-free | 0.30360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.219 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | BALBES |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.390 | 3.020 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.110 | 0.740 |
| Number of reflections | 14193 | 2823 |
| <I/σ(I)> | 6.7 | |
| Completeness [%] | 99.8 | |
| Redundancy | 2 | |
| CC(1/2) | 0.985 | 0.459 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 4K, MES pH 6.5 |
