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 |