6TBH
Structure of a beta galactosidase with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-28 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.91587 |
Spacegroup name | P 1 |
Unit cell lengths | 99.103, 115.386, 115.723 |
Unit cell angles | 90.21, 89.99, 89.85 |
Refinement procedure
Resolution | 81.860 - 1.500 |
R-factor | 0.1337 |
Rwork | 0.131 |
R-free | 0.18220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4d1i |
RMSD bond length | 0.017 |
RMSD bond angle | 1.960 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 82.000 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 789757 | 38411 |
<I/σ(I)> | 5.9 | |
Completeness [%] | 96.2 | |
Redundancy | 2.2 | |
CC(1/2) | 0.986 | 0.604 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | Sodium acetate |