5YYB
Crystal structure of Sialic acid Binding protein from Haemophilus ducreyi with Neu5Gc
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-07 |
| Detector | NOIR-1 |
| Wavelength(s) | 0.9778, 0.9546, 0.9783 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 134.413, 70.125, 113.081 |
| Unit cell angles | 90.00, 114.24, 90.00 |
Refinement procedure
| Resolution | 28.993 - 2.484 |
| R-factor | 0.176 |
| Rwork | 0.172 |
| R-free | 0.24920 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.020 |
| Data reduction software | d*TREK |
| Data scaling software | Aimless |
| Phasing software | SOLVE |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.990 | 28.990 | 2.590 |
| High resolution limit [Å] | 2.480 | 8.960 | 2.480 |
| Rmerge | 0.116 | 0.046 | 0.549 |
| Rmeas | 0.135 | 0.054 | 0.641 |
| Rpim | 0.069 | 0.028 | 0.329 |
| Total number of observations | 124762 | 2602 | 11816 |
| Number of reflections | 33076 | 719 | 3289 |
| <I/σ(I)> | 7.2 | 26.3 | 2.3 |
| Completeness [%] | 97.2 | 93.9 | 85.6 |
| Redundancy | 3.8 | 3.6 | 3.6 |
| CC(1/2) | 0.993 | 0.997 | 0.502 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 20mM MES, 60mM NaCl, 30% PEG1500 pH 6.2 |
