4UUP
Reconstructed ancestral trichomonad malate dehydrogenase in complex with NADH, SO4, and PO4
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] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-12 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.460, 58.850, 81.570 |
| Unit cell angles | 90.00, 111.23, 90.00 |
Refinement procedure
| Resolution | 46.539 - 1.543 |
| R-factor | 0.1684 |
| Rwork | 0.167 |
| R-free | 0.20030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | HOMOLOGY MODEL BASED ON PDB ENTRY 5MDH |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.020 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.500 | 1.580 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.083 | 1.331 |
| Number of reflections | 91959 | |
| <I/σ(I)> | 14.59 | 0.65 |
| Completeness [%] | 93.6 | 58.6 |
| Redundancy | 8.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 5 MG/ML PROTEIN, 100 MM TRIS, PH 8.0, 25% PEG 4000, AND 0.2M LI2SO4 |
