7T7E
MA-1-206-OXA-23 3 minute complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 174.277, 174.277, 81.222 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.970 - 2.400 |
| R-factor | 0.2298 |
| Rwork | 0.228 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jf6 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmeas | 0.064 | |
| Rpim | 0.021 | 0.318 |
| Number of reflections | 24682 | 2532 |
| <I/σ(I)> | 17.4 | 2 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 8.8 | 8.8 |
| CC(1/2) | 0.999 | 0.893 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 M succinic acid, 20% PEG3350 |
