8BDM
VCB in complex with compound 26
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-08-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.99971 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 92.894, 92.894, 364.016 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 82.740 - 2.021 |
R-factor | 0.2261 |
Rwork | 0.225 |
R-free | 0.25540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5nw1 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.960 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.X) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 90.170 | 2.027 |
High resolution limit [Å] | 2.020 | 2.021 |
Rmerge | 0.095 | 3.824 |
Rmeas | 0.099 | 3.967 |
Rpim | 0.027 | 1.052 |
Number of reflections | 100347 | 1007 |
<I/σ(I)> | 14.8 | |
Completeness [%] | 95.0 | 100 |
Redundancy | 13.1 | 14.1 |
CC(1/2) | 1.000 | 0.361 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 10-20% PEG 8000, 0.2 M magnesium acetate and 0.1 M sodium cacodylate pH 6.5, soaked with 1mM compound |