5SBJ
The crystal structure of METP in complex with Cd at a resolution of 1.29 A.
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 | 37.070, 56.654, 19.331 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.020 - 1.280 |
| R-factor | 0.1521 |
| Rwork | 0.151 |
| R-free | 0.17030 |
| 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] | 31.020 | 1.070 |
| High resolution limit [Å] | 1.010 | 1.010 |
| Rmerge | 0.123 | |
| Rmeas | 0.160 | |
| Number of reflections | 19836 | 3171 |
| <I/σ(I)> | 3.95 | 0.07 |
| Completeness [%] | 95.7 | 94.4 |
| Redundancy | 2.15 | 2 |
| CC(1/2) | 0.996 | 0.053 |
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 |
