9PXR
Human malic enzyme 1 complex with inhibitor NPD-389 at 2.3 Angstrom.
This is a non-PDB format compatible entry.
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 | 2023-12-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 210.091, 75.628, 168.322 |
| Unit cell angles | 90.00, 113.10, 90.00 |
Refinement procedure
| Resolution | 49.087 - 2.300 |
| Rwork | 0.186 |
| R-free | 0.22730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.138 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.087 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 108268 | 5332 |
| <I/σ(I)> | 8.7 | 1.3 |
| Completeness [%] | 100.0 | |
| Redundancy | 12.3 | |
| CC(1/2) | 0.995 | 0.386 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M Magnesium formate dehydrate, 20 % w/v PEG 3350 |
