6TBI
Structure of a beta galactosidase with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-23 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 |
Unit cell lengths | 99.120, 115.910, 116.103 |
Unit cell angles | 90.20, 89.96, 90.08 |
Refinement procedure
Resolution | 116.100 - 1.460 |
R-factor | 0.1282 |
Rwork | 0.126 |
R-free | 0.17180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4d1i |
RMSD bond length | 0.017 |
RMSD bond angle | 1.979 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 116.100 | 1.480 |
High resolution limit [Å] | 1.460 | 1.460 |
Number of reflections | 865389 | 41941 |
<I/σ(I)> | 9.6 | |
Completeness [%] | 96.4 | |
Redundancy | 3.4 | |
CC(1/2) | 0.996 | 0.662 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | Sodium acetate |