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 |