3A8I
Crystal Structure of ET-EHred-5-CH3-THF 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 | 2009-04-15 |
| Detector | Bruker DIP-6040 |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 53.985, 88.928, 97.993 |
| Unit cell angles | 91.53, 102.47, 89.59 |
Refinement procedure
| Resolution | 29.770 - 1.990 |
| R-factor | 0.18513 |
| Rwork | 0.182 |
| R-free | 0.24429 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a8j |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.971 |
| 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] | 30.000 | 2.070 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.093 | 0.379 |
| Number of reflections | 97181 | |
| <I/σ(I)> | 9.78 | 2.86 |
| Completeness [%] | 85.1 | |
| Redundancy | 3.1 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 288 | 16% PEG8000, 0.04M KH2PO4, 20% Glycerol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
