9SSG
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with Cephalexin - Streptococcus pneumoniae R6
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-24 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.965459 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 96.049, 148.162, 99.185 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.025 - 1.642 |
| Rwork | 0.171 |
| R-free | 0.19530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.277 |
| Data reduction software | XDS (20200417) |
| Data scaling software | XSCALE (20200417) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.030 | 1.740 |
| High resolution limit [Å] | 1.642 | 1.642 |
| Number of reflections | 85494 | 13445 |
| <I/σ(I)> | 13.33 | 0.97 |
| Completeness [%] | 98.7 | 96.5 |
| Redundancy | 5.4 | 5.1 |
| CC(1/2) | 0.999 | 0.389 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 50MM HEPES PH 7.2, 3M NACL, 0.6-0.9M AMMONIUM SULFATE |
