4PLY
Crystal structure of ancestral apicomplexan malate dehydrogenase with malate.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 12.3.1 |
| Synchrotron site | ALS |
| Beamline | 12.3.1 |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2012-09-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.115866 |
| Spacegroup name | P 1 |
| Unit cell lengths | 59.311, 90.688, 136.304 |
| Unit cell angles | 90.01, 90.01, 71.44 |
Refinement procedure
| Resolution | 45.435 - 1.900 |
| R-factor | 0.1904 |
| Rwork | 0.189 |
| R-free | 0.23810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hjr |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.740 |
| Data reduction software | XDS |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.010 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.122 | 2.230 |
| Number of reflections | 198358 | |
| <I/σ(I)> | 9.2 | 0.56 |
| Completeness [%] | 93.2 | 71.5 |
| Redundancy | 3.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20mg/mL protein with 2mM NADH/L-malate; well solution: 20% (w/v) PEG-1500, 0.1M HEPES, pH7.5 |
