23KS
Crystal structure of AprI/SAH complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97849 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.759, 75.255, 111.589 |
| Unit cell angles | 90.00, 105.89, 90.00 |
Refinement procedure
| Resolution | 32.870 - 2.300 |
| R-factor | 0.19 |
| Rwork | 0.188 |
| R-free | 0.23440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.960 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (2.1_6048) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.310 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.101 | 0.449 |
| Rmeas | 0.114 | 0.502 |
| Rpim | 0.051 | 0.221 |
| Number of reflections | 45535 | 4474 |
| <I/σ(I)> | 16.3 | 5.1 |
| Completeness [%] | 94.7 | 96 |
| Redundancy | 9.4 | 9.9 |
| CC(1/2) | 0.995 | 0.960 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | PEG 4000, Magnesium chloride, Sodium acetate, MOPS(3-Morpholinopropanesulfoinc Acid) |
