8JDS
Crystal structure of mLDHD in complex with Pyruvate
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 | 2021-11-28 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.9792 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 81.341, 102.740, 122.292 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.563 - 1.636 |
R-factor | 0.1771 |
Rwork | 0.176 |
R-free | 0.19180 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.014 |
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] | 44.140 | 1.720 |
High resolution limit [Å] | 1.636 | 1.640 |
Rmerge | 0.061 | 0.636 |
Rmeas | 0.065 | 0.692 |
Rpim | 0.021 | 0.264 |
Total number of observations | 56950 | |
Number of reflections | 59016 | 8974 |
<I/σ(I)> | 18.8 | 2.9 |
Completeness [%] | 93.1 | |
Redundancy | 8.7 | 6.3 |
CC(1/2) | 0.998 | 0.841 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289 | 4.0 M sodium formate |