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 |