3HFU
Crystal structure of the ligand binding domain of E. coli CynR with its specific effector azide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-02-08 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.176, 98.363, 86.272 |
| Unit cell angles | 90.00, 103.77, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.600 |
| Rwork | 0.223 |
| R-free | 0.27430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hxr |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.613 | |
| Number of reflections | 44532 | |
| <I/σ(I)> | 17.78 | 3.09 |
| Completeness [%] | 99.8 | 99.75 |
| Redundancy | 3.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 294 | 25% PEG5000 monomethyl ether (MME) plus 100 mM Tris 8.5, cryoprotected in 25% ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
