8C7S
Transcriptional pleiotropic repressor CodY from Staphylococcus aureus in complex with Ile, GTP, and a 30-bp DNA fragment encompassing two overlapping binding sites
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-14 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.8731 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 104.112, 104.112, 257.226 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.680 - 3.050 |
Rwork | 0.214 |
R-free | 0.25900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.524 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.700 | 3.160 |
High resolution limit [Å] | 3.050 | 3.050 |
Rmerge | 2.567 | |
Rpim | 0.109 | 0.733 |
Number of reflections | 16453 | 1599 |
<I/σ(I)> | 12.1 | 1.9 |
Completeness [%] | 99.9 | 100 |
Redundancy | 23.2 | 24.4 |
CC(1/2) | 0.997 | 0.824 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | Protein, 140 microM, 20 mM TrisCl pH 8, 150 mM NaCl, 20 mM Ile, 2 mM GTP, 35 microM dsDNA, 3% DMSO Well, 150 mM ammoniumsulphate,100 mM MES pH 5.4, 23-25% PEG4000 |