9RU4
Crystal structure of a sialic acid binding protein, Q216A mutant, from Streptococcus pneumoniae bound to Neu5Ac
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-11-22 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.831, 61.493, 89.394 |
| Unit cell angles | 90.00, 106.23, 90.00 |
Refinement procedure
| Resolution | 66.778 - 1.600 |
| Rwork | 0.180 |
| R-free | 0.23080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.538 |
| Data reduction software | DIALS |
| Data scaling software | xia2 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 66.780 | 66.840 | 1.630 |
| High resolution limit [Å] | 1.600 | 4.340 | 1.600 |
| Rmeas | 0.107 | 0.050 | 0.509 |
| Rpim | 0.040 | 0.020 | 0.188 |
| Total number of observations | 751307 | 37531 | 36352 |
| Number of reflections | 106140 | 5576 | 5093 |
| <I/σ(I)> | 12.9 | 40.1 | 2.2 |
| Completeness [%] | 97.7 | 99.6 | 93.7 |
| Redundancy | 7.1 | 6.7 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.4 | 293 | 0.1M NaCit, 3.6M ammonium sulfate, pH 5.4 |
