8JDN
Crystal structure of H405A mLDHD in complex with D-2-hydroxyvaleric acid
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 | 2023-04-17 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.9792 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 81.464, 103.095, 122.608 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.990 - 1.560 |
R-factor | 0.1726 |
Rwork | 0.172 |
R-free | 0.18970 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.077 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.850 | 1.640 |
High resolution limit [Å] | 1.560 | 1.560 |
Rmerge | 0.061 | 0.474 |
Rmeas | 0.065 | 0.550 |
Rpim | 0.022 | 0.270 |
Total number of observations | 526815 | 33311 |
Number of reflections | 72530 | 9484 |
<I/σ(I)> | 19 | 2.9 |
Completeness [%] | 98.3 | |
Redundancy | 7.3 | 3.5 |
CC(1/2) | 0.999 | 0.789 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289 | 4.0 M sodium formate |