8H8Y
Crystal structure of AbHheG from Acidimicrobiia bacterium
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 | 2022-09-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 60.887, 62.407, 71.415 |
| Unit cell angles | 69.24, 82.88, 62.19 |
Refinement procedure
| Resolution | 52.010 - 1.550 |
| R-factor | 0.1731 |
| Rwork | 0.172 |
| R-free | 0.20020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7wkq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.491 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 52.010 | 51.950 | 1.630 |
| High resolution limit [Å] | 1.550 | 4.900 | 1.550 |
| Rmerge | 0.048 | 0.036 | 0.340 |
| Rmeas | 0.060 | 0.046 | 0.423 |
| Rpim | 0.035 | 0.028 | 0.248 |
| Total number of observations | 9187 | 46384 | |
| Number of reflections | 120656 | 3805 | 17393 |
| <I/σ(I)> | 7.7 | 14.3 | 2.4 |
| Completeness [%] | 95.7 | 95.2 | 94.4 |
| Redundancy | 2.6 | 2.4 | 2.7 |
| CC(1/2) | 0.996 | 0.993 | 0.905 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 20% PEG 3350, 0.1 Bis-Tris pH 6.5, 2% v/v Tacsimate pH6.0 |
