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 |