6ZU2
CML1 crystal structure in complex with H-type 1 trisaccharide
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 31 |
| Unit cell lengths | 74.040, 74.040, 119.893 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.020 - 1.550 |
| Rwork | 0.150 |
| R-free | 0.18100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6zrw |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.889 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.020 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.053 | 0.568 |
| Rmeas | 0.056 | 0.602 |
| Rpim | 0.018 | 0.198 |
| Number of reflections | 106704 | 5214 |
| <I/σ(I)> | 21.6 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.1 | 9.3 |
| CC(1/2) | 0.999 | 0.899 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 292 | 1.5 M AmSO4, 100 mM trisodium citrate pH 5.6. Transfer in 2.5 M LI2SO4 for flash freezing in liquid nitrogen |
