3IJC
Crystal structure of Eed in complex with NDSB-195
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX10.1 |
| Synchrotron site | SRS |
| Beamline | PX10.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.803, 85.337, 91.231 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.560 - 1.950 |
| R-factor | 0.19724 |
| Rwork | 0.195 |
| R-free | 0.23156 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SeMet EED structure |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.680 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.091 | 0.426 |
| Number of reflections | 31920 | |
| <I/σ(I)> | 14.5 | 2.1 |
| Completeness [%] | 98.5 | 91 |
| Redundancy | 4.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 4M Sodium formate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
