9HY4
Solubly expressed miniaturized SMART H2-Db
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-18 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9655 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 65.954, 93.237, 75.856 |
| Unit cell angles | 90.00, 94.08, 90.00 |
Refinement procedure
| Resolution | 53.750 - 2.000 |
| R-factor | 0.2276 |
| Rwork | 0.225 |
| R-free | 0.28050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.975 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHENIX (1.20.1_4487) |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.750 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 29279 | 2209 |
| <I/σ(I)> | 8 | 4.1 |
| Completeness [%] | 95.2 | 96.9 |
| Redundancy | 2 | |
| CC(1/2) | 1.000 | 0.900 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293.15 | 0.2 M sodium acetate trihydrate, 0.1 M TRIS hydrochloride pH 8.5, and 30% w/v polyethylene glycol, PEG 4,000 |
