8ULE
The structure of NanH in complex with Neu5,9Ac
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-002 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-01-30 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.514 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 94.037, 64.261, 66.273 |
| Unit cell angles | 90.00, 102.70, 90.00 |
Refinement procedure
| Resolution | 22.900 - 1.890 |
| R-factor | 0.18733 |
| Rwork | 0.186 |
| R-free | 0.21465 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.182 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.900 | 1.943 |
| High resolution limit [Å] | 1.890 | 1.894 |
| Number of reflections | 30625 | 1493 |
| <I/σ(I)> | 11.6 | |
| Completeness [%] | 100.0 | |
| Redundancy | 4.6 | |
| CC(1/2) | 0.981 | 0.881 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1M HEPES: NaOH pH 7.5, and 20% PEG 8000 |
