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 |