9ON0
Crystal structure of E. coli ApaH D37A mutant in complex with Ap4U
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-08-05 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.92010 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 167.055, 55.033, 119.751 |
| Unit cell angles | 90.00, 129.58, 90.00 |
Refinement procedure
| Resolution | 32.200 - 1.830 |
| R-factor | 0.1923 |
| Rwork | 0.191 |
| R-free | 0.22180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.052 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.200 | 1.860 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.184 | 1.735 |
| Number of reflections | 74138 | 3633 |
| <I/σ(I)> | 5.2 | 0.9 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 4.7 | 4.9 |
| CC(1/2) | 0.988 | 0.355 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | Conditions: 0.3 mM ApaH (D37A) mutant (10 mg/mL), 1 mM DTT, 25 mM Hepes (pH 7.5), 0.2 M NaCl and soaked with Ap4U. Well solution: 0.2 M Trisodium Citrate, 20% PEG3350. |
