8JDF
Crystal structure of H405A 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 | 2023-04-17 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.9792 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 81.120, 103.420, 122.360 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.940 - 1.690 |
R-factor | 0.1732 |
Rwork | 0.172 |
R-free | 0.18740 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.028 |
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] | 63.830 | 1.730 |
High resolution limit [Å] | 1.690 | 1.690 |
Rmerge | 0.098 | 0.918 |
Rmeas | 0.102 | 0.970 |
Rpim | 0.028 | 0.307 |
Total number of observations | 716901 | 38882 |
Number of reflections | 56971 | 4065 |
<I/σ(I)> | 22.5 | 5.6 |
Completeness [%] | 98.8 | |
Redundancy | 12.6 | 9.6 |
CC(1/2) | 0.998 | 0.840 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289 | 4.0 M sodium formate |