7AW6
The extracellular region of CD33 with bound sialoside analogue P22
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 | 2019-09-15 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 59.641, 103.230, 84.495 |
| Unit cell angles | 90.00, 110.42, 90.00 |
Refinement procedure
| Resolution | 79.190 - 1.950 |
| R-factor | 0.1962 |
| Rwork | 0.194 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ihb |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.588 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.190 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.143 | 1.795 |
| Rmeas | 0.155 | 2.047 |
| Rpim | 0.060 | 0.954 |
| Number of reflections | 33360 | 1742 |
| <I/σ(I)> | 10.3 | 1 |
| Completeness [%] | 95.5 | 69.9 |
| Redundancy | 12.8 | 8.2 |
| CC(1/2) | 0.998 | 0.497 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 293 | 0.1M citrate/phosphate, 6.5% PEG 400, 6.5% PEG 500 MME, 6.5% PEG 600, 6.5% PEG 1000 |
