7WUP
The crystal structure of ApiI
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 | 2019-12-06 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.409, 111.045, 66.491 |
| Unit cell angles | 90.00, 98.04, 90.00 |
Refinement procedure
| Resolution | 48.920 - 2.300 |
| R-factor | 0.1981 |
| Rwork | 0.196 |
| R-free | 0.23720 |
| Structure solution method | SAD |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.541 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX (1.12-2829) |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.350 |
| High resolution limit [Å] | 2.300 | 2.310 |
| Rmerge | 0.139 | 0.550 |
| Rmeas | 0.150 | 0.607 |
| Rpim | 0.057 | 0.253 |
| Number of reflections | 31125 | 2948 |
| <I/σ(I)> | 15.087 | 2.833 |
| Completeness [%] | 98.4 | 93.5 |
| Redundancy | 6.6 | 5.4 |
| CC(1/2) | 0.995 | 0.844 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | JCSG C3 0.2 M Ammonium nitrate, 20 %(w/v) PEG 3350 |
