3LYQ
Crystal structure of IpgB2 from Shigella flexneri
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-09-21 |
Detector | MARRESEARCH |
Wavelength(s) | 0.900 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 114.080, 114.080, 88.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.880 - 2.300 |
R-factor | 0.232 |
Rwork | 0.229 |
R-free | 0.29200 |
Structure solution method | SAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.694 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (refmac_5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.880 | 2.360 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.056 | 0.675 |
Number of reflections | 25363 | 1205 |
<I/σ(I)> | 33.35 | 2.6 |
Completeness [%] | 95.4 | 63 |
Redundancy | 18.2 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 5% (w/w) PEG 3350, 7% isopropanol, 10mM FeCl3, 100mM trisodium citrate/citric acid pH 5.5, 10mM NaCl, vapor diffusion, hanging drop, temperature 277K |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 5% (w/w) PEG 3350, 7% isopropanol, 10mM FeCl3, 100mM trisodium citrate/citric acid pH 5.5, 10mM NaCl, vapor diffusion, hanging drop, temperature 277K |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 5% (w/w) PEG 3350, 7% isopropanol, 10mM FeCl3, 100mM trisodium citrate/citric acid pH 5.5, 10mM NaCl, vapor diffusion, hanging drop, temperature 277K |