5JAW
Structure of a beta galactosidase with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-01-21 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 1 |
Unit cell lengths | 99.168, 115.660, 115.935 |
Unit cell angles | 90.15, 90.11, 90.11 |
Refinement procedure
Resolution | 81.990 - 1.600 |
R-factor | 0.19777 |
Rwork | 0.197 |
R-free | 0.21403 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4d1i |
RMSD bond length | 0.018 |
RMSD bond angle | 1.927 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.990 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.080 | 0.588 |
Number of reflections | 650665 | |
<I/σ(I)> | 6 | 1.2 |
Completeness [%] | 95.7 | 94.1 |
Redundancy | 1.8 | 1.8 |
CC(1/2) | 0.979 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 291 | 2.7 M Na acetate pH 7.2 |