2CEX
Structure of a sialic acid binding protein (SiaP) in the presence of the sialic acid acid analogue Neu5Ac2en
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-06-26 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 131.448, 88.701, 115.912 |
| Unit cell angles | 90.00, 105.33, 90.00 |
Refinement procedure
| Resolution | 111.800 - 2.200 |
| R-factor | 0.201 |
| Rwork | 0.197 |
| R-free | 0.28000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.727 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.100 | 0.560 |
| Number of reflections | 49350 | |
| <I/σ(I)> | 10.7 | 1.1 |
| Completeness [%] | 75.7 | 12.7 |
| Redundancy | 3.2 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 5 MM NEU5AC2EN, 5 MM ZINC ACETATE,0.1 M TRIS-HCL PH 8.5, 0.2 M MAGNESIUM CHLORIDE, 25 % PEG 3350 |
