6L90
Crystal structure of ugt transferase enzyme
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-20 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.832, 68.877, 143.908 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.020 |
R-factor | 0.2199 |
Rwork | 0.217 |
R-free | 0.27590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pq6 |
RMSD bond length | 0.004 |
RMSD bond angle | 1.141 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 2.090 |
High resolution limit [Å] | 2.020 | 4.350 | 2.020 |
Rmerge | 0.081 | 0.039 | 0.762 |
Rmeas | 0.087 | 0.042 | 0.822 |
Rpim | 0.031 | 0.016 | 0.305 |
Total number of observations | 261957 | ||
Number of reflections | 33929 | 3615 | 3345 |
<I/σ(I)> | 11.6 | ||
Completeness [%] | 99.9 | 99.6 | 99.9 |
Redundancy | 7.7 | 7.1 | 7.3 |
CC(1/2) | 0.999 | 0.836 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | PEG8000, MgAc |