3RH2
Crystal structure of a TetR-like transcriptional regulator (Sama_0099) from Shewanella amazonensis SB2B at 2.42 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-09 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97934,0.97915 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 123.536, 123.536, 49.552 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.118 - 2.420 |
R-factor | 0.2068 |
Rwork | 0.205 |
R-free | 0.24960 |
Structure solution method | MAD |
RMSD bond length | 0.019 |
RMSD bond angle | 1.724 |
Data reduction software | XDS |
Data scaling software | XSCALE (December 6, 2010) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.118 | 2.510 | |
High resolution limit [Å] | 2.420 | 5.190 | 2.420 |
Rmerge | 0.143 | 0.025 | 0.025 |
Number of reflections | 15161 | 2822 | 2905 |
<I/σ(I)> | 7.82 | 15.8 | 1.5 |
Completeness [%] | 99.7 | 98.4 | 99.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 277 | 0.4M KH2PO4, 1.6M NaH2PO4, 0.1M Phosphate Citrate pH 4.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |