4M4N
Structural evaluation the Y358H mutant of the aspergillus fumigatus kdnase (sialidase)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Detector technology | CCD |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.910, 58.070, 94.440 |
| Unit cell angles | 90.00, 99.91, 90.00 |
Refinement procedure
| Resolution | 12.390 - 1.840 |
| R-factor | 0.1758 |
| Rwork | 0.173 |
| R-free | 0.22440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.242 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 12.390 | 12.388 | 1.940 |
| High resolution limit [Å] | 1.840 | 5.820 | 1.840 |
| Rmerge | 0.054 | 0.212 | |
| Total number of observations | 8655 | 35085 | |
| Number of reflections | 69384 | ||
| <I/σ(I)> | 11 | 10.4 | 3.6 |
| Completeness [%] | 98.5 | 89.8 | 92 |
| Redundancy | 4 | 4.2 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 20% (w/v) PEG 3350, 0.2M sodium nitrate, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
