6GQN
Cell division regulator, S. pneumoniae GpsB, in complex with peptide fragment of Penicillin Binding Protein PBP2a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-09 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 83.084, 26.373, 65.899 |
| Unit cell angles | 90.00, 106.43, 90.00 |
Refinement procedure
| Resolution | 39.846 - 1.800 |
| R-factor | 0.1808 |
| Rwork | 0.178 |
| R-free | 0.22540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6gqa |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.393 |
| Data reduction software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.850 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rpim | 0.051 | 0.269 |
| Number of reflections | 13052 | 763 |
| <I/σ(I)> | 9 | 2.2 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3.6 | 3.2 |
| CC(1/2) | 0.976 | 0.883 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1M Tris.HCl pH 8.5, 0.2M lithium sulphate, 40% PEG400 |
