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. |