5Z99
Crystal structure of Sialic acid Binding protein from Haemophilus ducreyi with Neu5Ac
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 | CCD |
| Collection date | 2006-07-07 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.368, 89.630, 90.787 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.518 - 1.494 |
| R-factor | 0.1701 |
| Rwork | 0.169 |
| R-free | 0.19440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5yyb |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.796 |
| Data reduction software | d*TREK |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.520 | 19.520 | 1.520 |
| High resolution limit [Å] | 1.490 | 8.180 | 1.490 |
| Rmerge | 0.058 | 0.020 | 0.538 |
| Rmeas | 0.063 | 0.021 | 0.591 |
| Rpim | 0.024 | 0.008 | 0.237 |
| Total number of observations | 604746 | 3887 | 23207 |
| Number of reflections | 93977 | 617 | 4237 |
| <I/σ(I)> | 19 | 93.4 | 4.9 |
| Completeness [%] | 96.8 | 92 | 88.6 |
| Redundancy | 6.4 | 6.3 | 5.5 |
| CC(1/2) | 0.999 | 0.999 | 0.807 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 291 | 20mM MES, 60mM NaCl, 30% PEG 1500, pH 6.2 |
