5F1R
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (C10)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-02-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.914 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.340, 80.970, 62.340 |
Unit cell angles | 90.00, 112.54, 90.00 |
Refinement procedure
Resolution | 57.578 - 2.250 |
R-factor | 0.2029 |
Rwork | 0.198 |
R-free | 0.25940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2beo |
RMSD bond length | 0.014 |
RMSD bond angle | 1.463 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.580 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.058 | 0.985 |
Number of reflections | 24400 | |
<I/σ(I)> | 12.1 | 1.6 |
Completeness [%] | 99.2 | 97.9 |
Redundancy | 5.6 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | PrfA was co-crystallized with complex 1 (5 mol excess). Crystals grew in 5 days after 1 microL of the protein solution (3.5 mg per ml PrfA, 200 mM NaCl, 20 mM NaP buffer, pH 6.5) was mixed with an equal volume of precipitant solution containing 20% PEG-4000, 16% isopropanol, 100 mM Na citrate pH 5.5 and allowed to equilibrate over a 1 ml solution of the precipitant in a Linbro plate. Before data collection, the crystals were transferred to a cryo-protectant solution including 16% glycerol in the precipitant solution. |