6H76
SiaP in complex with Neu5Ac (RT)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2013-09-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.788, 75.310, 87.774 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.160 - 1.500 |
| R-factor | 0.11379 |
| Rwork | 0.112 |
| R-free | 0.15454 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.637 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | ACORN |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.160 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.054 | 0.799 |
| Number of reflections | 51316 | 2510 |
| <I/σ(I)> | 13.8 | 1.6 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 5.1 | 5.2 |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 28.5% PEG 6000, 100 mM MES pH 6.0, 0.1 M CsCl, 5% Jeffamine |
