8AB3
Crystal Structure of the Lactate Dehydrogenase of Cyanobacterium Aponinum in complex with oxamate, NADH and FBP.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-28 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.87313 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.369, 111.504, 101.793 |
| Unit cell angles | 90.00, 99.78, 90.00 |
Refinement procedure
| Resolution | 100.310 - 2.616 |
| R-factor | 0.1884 |
| Rwork | 0.186 |
| R-free | 0.23180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ojn |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.930 |
| Data reduction software | XDS (Jan 10, 2022) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHENIX (1.19.2-4158) |
| Refinement software | BUSTER (2.10.4 (8-JUN-2022)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 100.314 | 100.314 | 2.661 |
| High resolution limit [Å] | 2.616 | 7.100 | 2.616 |
| Rmerge | 0.195 | 0.081 | 0.754 |
| Rmeas | 0.222 | 0.093 | 0.853 |
| Rpim | 0.105 | 0.045 | 0.391 |
| Total number of observations | 200506 | 9368 | 10675 |
| Number of reflections | 46537 | 2324 | 2342 |
| <I/σ(I)> | 5.62 | 11.29 | 1.99 |
| Completeness [%] | 99.3 | 96.1 | 100 |
| Redundancy | 4.31 | 4.03 | 4.56 |
| CC(1/2) | 0.983 | 0.991 | 0.726 |
| Anomalous redundancy | 2.2 | 2.1 | 2.3 |
| CC(ano) | -0.127 | -0.371 | -0.030 |
| |DANO|/σ(DANO) | 0.7 | 0.6 | 0.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 18.5 % peg 3350 0.24 M sodium malonate dibasic monohydrate |
