4YNL
Crystal structure of the hood domain of Anabaena HetR in complex with the hexapeptide ERGSGR derived from PatS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 218.215, 43.463, 55.113 |
| Unit cell angles | 90.00, 97.54, 90.00 |
Refinement procedure
| Resolution | 42.650 - 2.100 |
| R-factor | 0.21425 |
| Rwork | 0.212 |
| R-free | 0.25570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4K1M |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.378 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.138 | 0.517 |
| Number of reflections | 29699 | |
| <I/σ(I)> | 7.81 | 2.413 |
| Completeness [%] | 97.5 | 95.1 |
| Redundancy | 2.9 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 289 | 25% PEG 4000, 0.1 M sodium citrate, 0.2 M ammonium acetate |
