1PJ2
Crystal structure of human mitochondrial NAD(P)+-dependent malic enzyme in a pentary complex with natural substrate malate, cofactor NADH, 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) | 0.97897 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 227.283, 117.345, 113.024 |
Unit cell angles | 90.00, 109.79, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.300 |
R-factor | 0.205 |
Rwork | 0.205 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
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 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.083 | 0.203 |
Number of reflections | 117757 | |
<I/σ(I)> | 10 | |
Completeness [%] | 95.0 | 84.8 |
Redundancy | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 12% PEG3350, 100 mM Bis-Tris 6.5, 0.1 M L-malate, VAPOR DIFFUSION, HANGING DROP, temperature 277K |