8UL7
The structure of NanH in complex with Neu5Ac
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) | 1.5340 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.863, 64.382, 66.807 |
| Unit cell angles | 90.00, 102.45, 90.00 |
Refinement procedure
| Resolution | 22.910 - 1.850 |
| R-factor | 0.1779 |
| Rwork | 0.176 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.071 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.000 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 36096 | 1823 |
| <I/σ(I)> | 15.9 | |
| Completeness [%] | 99.8 | |
| Redundancy | 4.3 | |
| CC(1/2) | 0.997 | 0.782 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.1 M HEPES:NaOH pH 7.5, 20% PEG 8000. |
