1PJ3
Crystal structure of human mitochondrial NAD(P)+-dependent malic enzyme in a pentary complex with natural substrate pyruvate, cofactor NAD+, Mn++, and allosteric activator fumarate.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-10-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 225.828, 117.050, 111.847 |
| Unit cell angles | 90.00, 109.57, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.192 |
| Rwork | 0.192 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | COMO |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.081 | 0.190 |
| Number of reflections | 147666 | |
| <I/σ(I)> | 10 | |
| Completeness [%] | 92.2 | 80.6 |
| Redundancy | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 12% PEG3350, 100 mM Bis-Tris 6.5, 0.1 M Na Formate, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
