4KS5
Influenza neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-12 |
| Detector | RIGAKU SATURN 944 |
| Spacegroup name | I 4 |
| Unit cell lengths | 90.279, 90.279, 94.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.025 - 2.699 |
| R-factor | 0.172 |
| Rwork | 0.168 |
| R-free | 0.19770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ht5 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.260 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 65.300 |
| High resolution limit [Å] | 2.699 |
| Number of reflections | 10514 |
| Completeness [%] | 99.8 |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | 40% 2-methyl-2,4-pentanediol, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
