9AYI
Human malic enzyme 2 cofactor complex at 1.89 Angstrom.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-07-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 |
Unit cell lengths | 74.325, 98.166, 107.739 |
Unit cell angles | 65.32, 70.75, 74.89 |
Refinement procedure
Resolution | 47.420 - 1.890 |
R-factor | 0.17836 |
Rwork | 0.177 |
R-free | 0.20096 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 1.094 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.420 | 1.930 |
High resolution limit [Å] | 1.890 | 1.890 |
Number of reflections | 200119 | 8176 |
<I/σ(I)> | 6.9 | 1.6 |
Completeness [%] | 98.2 | 79.9 |
Redundancy | 3.6 | 3.5 |
CC(1/2) | 0.990 | 0.483 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.1 M Bis-Tris, 0.1 M Ammonium Tartrate, 0.02 M Potassium Citrate, 20% PEG-3350. |