8PN3
Crystal structure of the HC7-Glu200Ala mutant complexed to a tetraglycopeptide.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-10 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.703, 91.940, 99.741 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.900 - 1.440 |
| R-factor | 0.17107 |
| Rwork | 0.170 |
| R-free | 0.20114 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.669 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.520 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.085 | 0.931 |
| Number of reflections | 140966 | 20377 |
| <I/σ(I)> | 10.1 | 1.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.5 | 5.4 |
| CC(1/2) | 0.998 | 0.646 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | PEG 8000 MES Zinc acetate |
