8PN5
Crystal structure of the HC7-Glu200Ala mutant complexed to a triglycopeptide
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 | 163.331, 260.637, 82.626 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.970 - 1.720 |
Rwork | 0.208 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.810 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.088 | 1.264 |
Number of reflections | 371886 | 53889 |
<I/σ(I)> | 9.7 | |
Completeness [%] | 99.9 | |
Redundancy | 5.6 | |
CC(1/2) | 0.998 | 0.641 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | MES PEG 8,000 zinc acetate |