4NFD
Structure of PILR L108W mutant in complex with sialic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97930 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.580, 39.571, 41.481 |
| Unit cell angles | 90.00, 90.60, 90.00 |
Refinement procedure
| Resolution | 41.479 - 1.708 |
| R-factor | 0.1725 |
| Rwork | 0.171 |
| R-free | 0.21170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nfb |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.096 | 0.347 |
| Number of reflections | 11851 | |
| <I/σ(I)> | 15.14 | 3.922 |
| Completeness [%] | 97.8 | 82.5 |
| Redundancy | 4.7 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.1M HEPES sodium pH 7.5, 1.4M sodium citrate tribasic dehydrate, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
