23LQ
Crystal structure of AprI
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 | 43.814, 135.661, 95.088 |
| Unit cell angles | 90.00, 103.18, 90.00 |
Refinement procedure
| Resolution | 42.610 - 2.510 |
| R-factor | 0.2192 |
| Rwork | 0.216 |
| R-free | 0.27450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.087 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX (1.19.2_4158) |
| Refinement software | PHENIX (("2.1_6048": ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.220 | 2.610 |
| High resolution limit [Å] | 2.510 | 2.510 |
| Rmerge | 0.137 | 4.198 |
| Rmeas | 0.140 | 4.925 |
| Rpim | 0.083 | 2.559 |
| Number of reflections | 35931 | 3981 |
| <I/σ(I)> | 9 | 0.5 |
| Completeness [%] | 95.0 | 95.3 |
| Redundancy | 6.9 | 6.9 |
| CC(1/2) | 0.998 | 0.140 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | PEG 4000, Magnesium chloride, Sodium acetate, MOPS(3-Morpholinopropanesulfoinc Acid) |
