6JTT
MHETase in complex with BHET
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-03-12 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97934 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 215.259, 173.799, 106.671 |
Unit cell angles | 90.00, 119.51, 90.00 |
Refinement procedure
Resolution | 33.210 - 2.510 |
R-factor | 0.1917 |
Rwork | 0.190 |
R-free | 0.22640 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.772 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.210 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.086 | 0.308 |
Number of reflections | 114235 | 5710 |
<I/σ(I)> | 15.75 | |
Completeness [%] | 98.2 | 98 |
Redundancy | 2.1 | 2.2 |
CC(1/2) | 0.982 | 0.867 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | PEG3350, HEPES, Tacsimate pH 7.0 |