1TD5
Crystal Structure of the Ligand Binding Domain of E. coli IclR.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-07-04 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97934,0.9791,0.96110 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.098, 82.911, 157.316 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.910 - 2.300 |
| R-factor | 0.23 |
| Rwork | 0.230 |
| R-free | 0.29900 |
| Structure solution method | MAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.092 | 0.380 |
| Number of reflections | 31820 | |
| <I/σ(I)> | 19.9 | 4 |
| Completeness [%] | 99.2 | 98.5 |
| Redundancy | 8.96 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | HEPES pH 7.5, Potassium acetate, PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
