4ICS
Crystal structure of PepS from Streptococcus pneumoniae in complex with a substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6B |
| Synchrotron site | PAL/PLS |
| Beamline | 6B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | BRUKER PROTEUM 300 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 126.365, 126.365, 139.328 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.200 - 1.970 |
| R-factor | 0.227 |
| Rwork | 0.225 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.762 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Number of reflections | 75799 | |
| <I/σ(I)> | 42.06 | 5.07 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 9.3 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 2M MAGNESIUM SULFATE, PH 4.6, MICROBATCH, TEMPERATURE 295K |
