3HB0
Structure of edeya2 complexed with bef3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Wavelength(s) | 1. |
| Spacegroup name | I 4 |
| Unit cell lengths | 184.002, 184.002, 119.954 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.500 |
| R-factor | 0.228 |
| Rwork | 0.224 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3geb |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.060 | |
| Number of reflections | 68947 | 6842 |
| <I/σ(I)> | 26.9 | 2.4 |
| Completeness [%] | 99.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 2.4M NaCl, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
