7XZP
Formate-tetrahydrofolate ligase in complex with berberine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-10 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 136.260, 205.210, 107.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.651 - 2.560 |
| R-factor | 0.2027 |
| Rwork | 0.201 |
| R-free | 0.23630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a4j |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | MoRDa |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.200 | 2.630 |
| High resolution limit [Å] | 2.560 | 2.560 |
| Rmeas | 0.339 | |
| Rpim | 0.124 | |
| Number of reflections | 48875 | 3564 |
| <I/σ(I)> | 8.8 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8 | 8.2 |
| CC(1/2) | 0.978 | 0.288 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295.15 | 0.1M HEPES pH 7.5, 2.0M Ammonium sulfate |
