23JV
Crystal structure of human cytosolic NADP(+)-dependent malic enzyme in complex with small molecules
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.552, 180.591, 108.038 |
| Unit cell angles | 90.00, 106.09, 90.00 |
Refinement procedure
| Resolution | 32.960 - 2.030 |
| R-factor | 0.1796 |
| Rwork | 0.177 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.543 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.050 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.103 | 0.823 |
| Number of reflections | 144865 | 144865 |
| <I/σ(I)> | 19 | 2 |
| Completeness [%] | 91.2 | 85.2 |
| Redundancy | 6.3 | 6.4 |
| CC(1/2) | 0.993 | 0.759 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289.15 | 100 mM imdazole (pH 8.0), 12% w/v Polyethyleneglycol 8000 |
