5SBI
The crystal structure of METP in complex with Co at a resolution of 1.80A.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-12-24 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 37.264, 56.180, 19.225 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.054 - 1.799 |
| R-factor | 0.1459 |
| Rwork | 0.144 |
| R-free | 0.18130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Rosetta computational model |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.054 | 1.910 |
| High resolution limit [Å] | 1.799 | 1.799 |
| Rmerge | 0.125 | 0.449 |
| Rmeas | 0.136 | 0.486 |
| Number of reflections | 593 | |
| <I/σ(I)> | 12.02 | 4.17 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 6.75 | 6.75 |
| CC(1/2) | 0.997 | 0.932 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 300 | 0.1 M HEPES, 1.4 M sodium citrate tribasic dihydrate |
