8PEJ
CjGH35 with a Galactosidase Activity-Based Probe
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-22 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 1 |
Unit cell lengths | 99.316, 116.212, 116.396 |
Unit cell angles | 90.24, 89.89, 90.09 |
Refinement procedure
Resolution | 82.544 - 1.500 |
Rwork | 0.157 |
R-free | 0.18100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.709 |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.320 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.043 | 0.047 |
Rmeas | 0.061 | 0.660 |
Rpim | 0.043 | 0.047 |
Number of reflections | 802827 | 37248 |
<I/σ(I)> | 10.4 | 2 |
Completeness [%] | 96.3 | 90 |
Redundancy | 3.4 | 2.8 |
CC(1/2) | 0.997 | 0.719 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 291 | Sodium acetate |