5TJJ
Crystal structure of IcIR transcriptional regulator from Alicyclobacillus acidocaldarius
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 98.380, 98.380, 119.485 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.500 |
| R-factor | 0.19198 |
| Rwork | 0.190 |
| R-free | 0.23426 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.479 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.122 | 0.900 |
| Number of reflections | 20970 | |
| <I/σ(I)> | 12.56 | 1.99 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4.7 | 4.8 |
| CC(1/2) | 0.632 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.8 M succinic acid, pH 7.0, cryo 30% glycerol |
