5ZNK
Crystal structure of a bacterial ProRS with ligands
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-29 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 129.575, 77.204, 73.965 |
Unit cell angles | 90.00, 99.33, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.070 |
R-factor | 0.22963 |
Rwork | 0.228 |
R-free | 0.25449 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2j3l |
RMSD bond length | 0.008 |
RMSD bond angle | 1.259 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.130 |
High resolution limit [Å] | 2.070 | 2.070 |
Rmerge | 0.053 | 0.197 |
Number of reflections | 42784 | 3334 |
<I/σ(I)> | 11.3 | 4 |
Completeness [%] | 97.4 | 97.5 |
Redundancy | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 297 | 32-40% (v/v) Pentaerythritol propoxylate (5/4 PO/OH), 0.1-0.2 M KCl, 50 mM HEPES, pH 7.5 |