8JDT
Crystal structure of mLDHD in complex with 2-ketobutanoic acid
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 | 2023-04-23 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 81.900, 102.610, 122.330 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.010 - 1.550 |
R-factor | 0.1837 |
Rwork | 0.182 |
R-free | 0.21110 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.096 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.010 | 1.590 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.101 | 1.345 |
Rmeas | 0.105 | 1.396 |
Rpim | 0.029 | 0.372 |
Total number of observations | 990622 | 73557 |
Number of reflections | 74388 | 5394 |
<I/σ(I)> | 14 | 2.2 |
Completeness [%] | 99.6 | |
Redundancy | 13.3 | 13.6 |
CC(1/2) | 0.997 | 0.776 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289 | 4.0 M sodium formate |