8JDE
Crystal structure of mLDHD in complex with D-lactate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-11-28 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.9792 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 82.124, 102.403, 123.432 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.062 - 1.729 |
R-factor | 0.1754 |
Rwork | 0.174 |
R-free | 0.19670 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.929 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.370 | 1.820 |
High resolution limit [Å] | 1.729 | 1.730 |
Rmerge | 0.040 | 0.564 |
Rmeas | 0.043 | 0.617 |
Rpim | 0.017 | 0.248 |
Total number of observations | 46874 | |
Number of reflections | 51777 | 7889 |
<I/σ(I)> | 22.5 | 2.7 |
Completeness [%] | 94.8 | |
Redundancy | 6.3 | 5.9 |
CC(1/2) | 0.999 | 0.866 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289 | 4.0 M sodium formate |