4MMP
Structure of Sialic Acid Binding Protein from Pasturella Multocida
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-02-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.643, 77.758, 85.519 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.530 - 1.570 |
R-factor | 0.1635 |
Rwork | 0.162 |
R-free | 0.19980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3b50 |
RMSD bond length | 0.023 |
RMSD bond angle | 2.131 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.16) |
Phasing software | AMoRE |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 85.519 | 85.519 | 1.650 |
High resolution limit [Å] | 1.570 | 4.960 | 1.570 |
Rmerge | 0.058 | 0.439 | |
Total number of observations | 8223 | 30115 | |
Number of reflections | 40313 | ||
<I/σ(I)> | 13.1 | 9.9 | 1.7 |
Completeness [%] | 99.4 | 99.8 | 97.1 |
Redundancy | 6.2 | 5.7 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | Drops were setup with equal volume of protein and 1.6M Sodium citrate tribasic dihydrate pH 6.5(crystallization buffer) and suspended over 100 l of crystallization buffer, VAPOR DIFFUSION, HANGING DROP, temperature 277K |