3A8K
Crystal Structure of ETD97N-EHred complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-28 |
| Detector | Bruker DIP-6040 |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 54.122, 88.412, 97.863 |
| Unit cell angles | 91.56, 102.42, 89.59 |
Refinement procedure
| Resolution | 43.970 - 1.950 |
| R-factor | 0.1739 |
| Rwork | 0.171 |
| R-free | 0.22915 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a8j |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.867 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.071 | 0.442 |
| Number of reflections | 119927 | |
| <I/σ(I)> | 20.9 | 3.2 |
| Completeness [%] | 98.3 | |
| Redundancy | 4 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 288 | 14.4% PEG8000, 0.036M KH2PO4, 18% Glycerol, 0.05M NaCl, 1mM CTAB, 1mM MgCl2, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
